N-[(1R)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide

C205H180ClF13N12O20 — CID 160698270

IUPACN-[(1R)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
SMILESCOc1c(F)cccc1[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2)cc1.COc1ccccc1[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2)cc1.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3cc(C(F)(F)F)ccc3C(F)(F)F)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(Cl)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](C)c3cc(C(F)(F)F)ccc3C(F)(F)F)cc12.Cc1cccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3)cc2)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/2C34H28F6N2O.C33H31FN2O2.C33H32N2O2.C33H32N2O.C32H29ClN2O.6CO2/c2*1-20-22(3)42(19-23-9-11-25(12-10-23)24-7-5-4-6-8-24)31-16-13-26(17-28(20)31)32(43)41-21(2)29-18-27(33(35,36)37)14-15-30(29)34(38,39)40;1-21-23(3)36(20-24-13-15-26(16-14-24)25-9-6-5-7-10-25)31-18-17-27(19-29(21)31)33(37)35-22(2)28-11-8-12-30(34)32(28)38-4;1-22-24(3)35(21-25-14-16-27(17-15-25)26-10-6-5-7-11-26)31-19-18-28(20-30(22)31)33(36)34-23(2)29-12-8-9-13-32(29)37-4;1-22-9-8-12-29(19-22)24(3)34-33(36)30-17-18-32-31(20-30)23(2)25(4)35(32)21-26-13-15-28(16-14-26)27-10-6-5-7-11-27;1-21-23(3)35(20-24-12-14-26(15-13-24)25-8-5-4-6-9-25)31-17-16-28(19-30(21)31)32(36)34-22(2)27-10-7-11-29(33)18-27;6*2-1-3/h2*4-18,21H,19H2,1-3H3,(H,41,43);5-19,22H,20H2,1-4H3,(H,35,37);5-20,23H,21H2,1-4H3,(H,34,36);5-20,24H,21H2,1-4H3,(H,34,36);4-19,22H,20H2,1-3H3,(H,34,36);;;;;;/t2*21-;22-;23-;24-;22-;;;;;;/m100000....../s1
InChIKeyRQGUACQKEIJIBX-LYWPGSIKSA-N
MW3414.19 g/mol
LogP46.48
Rot. Bonds38

About N-[(1R)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide

N-[(1R)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide (PubChem CID 160698270) has the molecular formula C205H180ClF13N12O20 and a molecular weight of 3414.19 g/mol. Its IUPAC name is N-[(1R)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
PubChem CID160698270
Molecular FormulaC205H180ClF13N12O20
Molecular Weight3414.19 g/mol
Exact Mass3411.29
IUPAC NameN-[(1R)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
SMILESCOc1c(F)cccc1[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2)cc1.COc1ccccc1[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2)cc1.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3cc(C(F)(F)F)ccc3C(F)(F)F)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(Cl)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](C)c3cc(C(F)(F)F)ccc3C(F)(F)F)cc12.Cc1cccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3)cc2)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/2C34H28F6N2O.C33H31FN2O2.C33H32N2O2.C33H32N2O.C32H29ClN2O.6CO2/c2*1-20-22(3)42(19-23-9-11-25(12-10-23)24-7-5-4-6-8-24)31-16-13-26(17-28(20)31)32(43)41-21(2)29-18-27(33(35,36)37)14-15-30(29)34(38,39)40;1-21-23(3)36(20-24-13-15-26(16-14-24)25-9-6-5-7-10-25)31-18-17-27(19-29(21)31)33(37)35-22(2)28-11-8-12-30(34)32(28)38-4;1-22-24(3)35(21-25-14-16-27(17-15-25)26-10-6-5-7-11-26)31-19-18-28(20-30(22)31)33(36)34-23(2)29-12-8-9-13-32(29)37-4;1-22-9-8-12-29(19-22)24(3)34-33(36)30-17-18-32-31(20-30)23(2)25(4)35(32)21-26-13-15-28(16-14-26)27-10-6-5-7-11-27;1-21-23(3)35(20-24-12-14-26(15-13-24)25-8-5-4-6-9-25)31-17-16-28(19-30(21)31)32(36)34-22(2)27-10-7-11-29(33)18-27;6*2-1-3/h2*4-18,21H,19H2,1-3H3,(H,41,43);5-19,22H,20H2,1-4H3,(H,35,37);5-20,23H,21H2,1-4H3,(H,34,36);5-20,24H,21H2,1-4H3,(H,34,36);4-19,22H,20H2,1-3H3,(H,34,36);;;;;;/t2*21-;22-;23-;24-;22-;;;;;;/m100000....../s1
InChIKeyRQGUACQKEIJIBX-LYWPGSIKSA-N
XLogP46.48
TPSA427.48 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds38
Heavy Atoms251
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003414.19
LogP ≤ 546.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-[(1R)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide with MolForge

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Related Compounds

tert-butyl N-[3-[5-[[8-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;tert-butyl N-[3-[5-formyl-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]carbamate;8-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane;3-[5-[[8-[(2-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine;methane
CID 157135114
CID 157184591
CID 157184591
5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;4-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 157282098
2-[1-[3,5-Bis(trifluoromethyl)benzoyl]-2-methylindol-3-yl]acetic acid;3-(carboxymethyl)-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indole-5-carboxylic acid;1-(3,5-dichlorobenzoyl)indole-3-carboxylic acid;2-[2,5-dimethyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[4-fluoro-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;1-[4-(trifluoromethyl)benzoyl]indole-3-carboxylic acid
CID 157474604
CID 157484540
CID 157484540
5-chloro-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[cyclopropyl-(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide;N-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide;5-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide;N-(1-phenylethyl)-1H-indole-2-carboxamide;N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide
CID 157497105
CID 157612956
CID 157612956
pentakis(carbon dioxide);N-[(1S)-1-(2-chloro-3-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2,3-difluorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 158097779
heptakis(carbon dioxide);N-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropyloxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yl-3-pyridinyl)ethyl]indole-5-carboxamide;N-[(1R)-1-(2-fluoro-4-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 158108496
2-[4-[[5-[[(1S)-1-(2-bromophenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(4-ethoxyphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-ethylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid
CID 158122260
N-[(1R)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2,3-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 158194949
hexakis(carbon dioxide);N-[(1R)-1-(3-chlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(1S)-1-(2-fluorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 158403841

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide?
The IUPAC name of N-[(1R)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide (CID 160698270) is N-[(1R)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide is COc1c(F)cccc1[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2)cc1.COc1ccccc1[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2)cc1.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3cc(C(F)(F)F)ccc3C(F)(F)F)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(Cl)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](C)c3cc(C(F)(F)F)ccc3C(F)(F)F)cc12.Cc1cccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3)cc2)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of N-[(1R)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide?
The InChIKey is RQGUACQKEIJIBX-LYWPGSIKSA-N. The full InChI is InChI=1S/2C34H28F6N2O.C33H31FN2O2.C33H32N2O2.C33H32N2O.C32H29ClN2O.6CO2/c2*1-20-22(3)42(19-23-9-11-25(12-10-23)24-7-5-4-6-8-24)31-16-13-26(17-28(20)31)32(43)41-21(2)29-18-27(33(35,36)37)14-15-30(29)34(38,39)40;1-21-23(3)36(20-24-13-15-26(16-14-24)25-9-6-5-7-10-25)31-18-17-27(19-29(21)31)33(37)35-22(2)28-11-8-12-30(34)32(28)38-4;1-22-24(3)35(21-25-14-16-27(17-15-25)26-10-6-5-7-11-26)31-19-18-28(20-30(22)31)33(36)34-23(2)29-12-8-9-13-32(29)37-4;1-22-9-8-12-29(19-22)24(3)34-33(36)30-17-18-32-31(20-30)23(2)25(4)35(32)21-26-13-15-28(16-14-26)27-10-6-5-7-11-27;1-21-23(3)35(20-24-12-14-26(15-13-24)25-8-5-4-6-9-25)31-17-16-28(19-30(21)31)32(36)34-22(2)27-10-7-11-29(33)18-27;6*2-1-3/h2*4-18,21H,19H2,1-3H3,(H,41,43);5-19,22H,20H2,1-4H3,(H,35,37);5-20,23H,21H2,1-4H3,(H,34,36);5-20,24H,21H2,1-4H3,(H,34,36);4-19,22H,20H2,1-3H3,(H,34,36);;;;;;/t2*21-;22-;23-;24-;22-;;;;;;/m100000....../s1.
What are the key properties of N-[(1R)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide?
N-[(1R)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide has a molecular weight of 3414.19 g/mol, XLogP of 46.48, 38 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide is sourced from PubChem (CID 160698270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).