5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1-methylpiperidin-4-yl)-phenylmethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide;5-ethoxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-propan-2-yloxy-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide

C132H133BrCl2F3N15O10 — CID 157127123

IUPAC5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1-methylpiperidin-4-yl)-phenylmethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide;5-ethoxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-propan-2-yloxy-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
SMILESCC(C)Oc1ccc2[nH]c(C(=O)N[C@H](C)c3ccccc3)cc2c1.CCOc1ccc2[nH]c(C(=O)N[C@H](C)c3ccccc3)cc2c1.CCc1ccc2[nH]c(C(=O)N[C@H](C)c3ccccc3)cc2c1.CN1CCC(C(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c2ccccc2)CC1.C[C@@H](NC(=O)C1Cc2cc(Cl)ccc2N1)c1ccccc1.C[C@@H](NC(=O)c1cc2cc(Br)ccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2cc(OC(F)(F)F)ccc2[nH]1)c1ccccc1
InChIInChI=1S/C22H24ClN3O.C20H22N2O2.C19H20N2O2.C19H20N2O.C18H15F3N2O2.C17H15BrN2O.C17H17ClN2O/c1-26-11-9-16(10-12-26)21(15-5-3-2-4-6-15)25-22(27)20-14-17-13-18(23)7-8-19(17)24-20;1-13(2)24-17-9-10-18-16(11-17)12-19(22-18)20(23)21-14(3)15-7-5-4-6-8-15;1-3-23-16-9-10-17-15(11-16)12-18(21-17)19(22)20-13(2)14-7-5-4-6-8-14;1-3-14-9-10-17-16(11-14)12-18(21-17)19(22)20-13(2)15-7-5-4-6-8-15;1-11(12-5-3-2-4-6-12)22-17(24)16-10-13-9-14(25-18(19,20)21)7-8-15(13)23-16;2*1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16/h2-8,13-14,16,21,24H,9-12H2,1H3,(H,25,27);4-14,22H,1-3H3,(H,21,23);4-13,21H,3H2,1-2H3,(H,20,22);4-13,21H,3H2,1-2H3,(H,20,22);2-11,23H,1H3,(H,22,24);2-11,20H,1H3,(H,19,21);2-9,11,16,20H,10H2,1H3,(H,19,21)/t;14-;2*13-;2*11-;11-,16?/m.111111/s1
InChIKeyAIQCCALCLNCAOB-MJXNLDMJSA-N
MW2297.41 g/mol
LogP29.89
Rot. Bonds28

About 5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1-methylpiperidin-4-yl)-phenylmethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide;5-ethoxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-propan-2-yloxy-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide

5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1-methylpiperidin-4-yl)-phenylmethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide;5-ethoxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-propan-2-yloxy-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide (PubChem CID 157127123) has the molecular formula C132H133BrCl2F3N15O10 and a molecular weight of 2297.41 g/mol. Its IUPAC name is 5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1-methylpiperidin-4-yl)-phenylmethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide;5-ethoxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-propan-2-yloxy-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1-methylpiperidin-4-yl)-phenylmethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide;5-ethoxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-propan-2-yloxy-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
PubChem CID157127123
Molecular FormulaC132H133BrCl2F3N15O10
Molecular Weight2297.41 g/mol
Exact Mass2293.89
IUPAC Name5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1-methylpiperidin-4-yl)-phenylmethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide;5-ethoxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-propan-2-yloxy-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
SMILESCC(C)Oc1ccc2[nH]c(C(=O)N[C@H](C)c3ccccc3)cc2c1.CCOc1ccc2[nH]c(C(=O)N[C@H](C)c3ccccc3)cc2c1.CCc1ccc2[nH]c(C(=O)N[C@H](C)c3ccccc3)cc2c1.CN1CCC(C(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c2ccccc2)CC1.C[C@@H](NC(=O)C1Cc2cc(Cl)ccc2N1)c1ccccc1.C[C@@H](NC(=O)c1cc2cc(Br)ccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2cc(OC(F)(F)F)ccc2[nH]1)c1ccccc1
InChIInChI=1S/C22H24ClN3O.C20H22N2O2.C19H20N2O2.C19H20N2O.C18H15F3N2O2.C17H15BrN2O.C17H17ClN2O/c1-26-11-9-16(10-12-26)21(15-5-3-2-4-6-15)25-22(27)20-14-17-13-18(23)7-8-19(17)24-20;1-13(2)24-17-9-10-18-16(11-17)12-19(22-18)20(23)21-14(3)15-7-5-4-6-8-15;1-3-23-16-9-10-17-15(11-16)12-18(21-17)19(22)20-13(2)14-7-5-4-6-8-14;1-3-14-9-10-17-16(11-14)12-18(21-17)19(22)20-13(2)15-7-5-4-6-8-15;1-11(12-5-3-2-4-6-12)22-17(24)16-10-13-9-14(25-18(19,20)21)7-8-15(13)23-16;2*1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16/h2-8,13-14,16,21,24H,9-12H2,1H3,(H,25,27);4-14,22H,1-3H3,(H,21,23);4-13,21H,3H2,1-2H3,(H,20,22);4-13,21H,3H2,1-2H3,(H,20,22);2-11,23H,1H3,(H,22,24);2-11,20H,1H3,(H,19,21);2-9,11,16,20H,10H2,1H3,(H,19,21)/t;14-;2*13-;2*11-;11-,16?/m.111111/s1
InChIKeyAIQCCALCLNCAOB-MJXNLDMJSA-N
XLogP29.89
TPSA341.40 Ų
H-Bond Donors14
H-Bond Acceptors12
Rotatable Bonds28
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002297.41
LogP ≤ 529.89
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1012

Analyze 5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1-methylpiperidin-4-yl)-phenylmethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide;5-ethoxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-propan-2-yloxy-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide with MolForge

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Related Compounds

1-(5-bromo-1H-indol-2-yl)-2-[1-(1-methylpyrazol-4-yl)cyclobutyl]ethanone;5-chloro-N-[4-(1-methylpyrazol-4-yl)oxan-4-yl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)propan-2-yl]-1H-indole-2-carboxamide;5-ethoxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;2-[1-(1-methylpyrazol-4-yl)cyclobutyl]-1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone
CID 157227967
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
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
N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-(1,1-difluoroethyl)benzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-ethynylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-fluoro-4-methylbenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylbenzamide;6-chloro-N-[4-(1,1-difluoroethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 157907858
1-O-tert-butyl 2-O-[4-[6-chloro-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl] pyrrolidine-1,2-dicarboxylate;ethyl 6-bromo-1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;2-fluoroethyl 6-chloro-1-[4-(2-methoxyethoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-fluorophenyl) 6-bromo-1-[4-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 157929262
1-(5-bromo-1H-indol-2-yl)-2-[1-(1-methylpyrazol-4-yl)cyclobutyl]ethanone;5-chloro-N-[4-(1-methylpyrazol-4-yl)oxan-4-yl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)propan-2-yl]-1H-indole-2-carboxamide;5-ethoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-ethoxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-ethyl-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;2-[1-(1-methylpyrazol-4-yl)cyclobutyl]-1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-propan-2-yloxy-1H-indole-2-carboxamide
CID 158221193
Ethyl 6-chloro-1-(4-prop-2-enoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-fluorophenyl) 6-bromo-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-fluorophenyl) 6-bromo-1-[4-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-fluorophenyl) 6-chloro-1-(4-methoxycarbonylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 158438584
6-bromo-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid;6-chloro-1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-chloro-1-(2-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;6-chloro-1-[3-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;1-(4-methoxyphenyl)-N-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide;1-phenyl-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 159003047
5-bromo-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclohexyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopentyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-(1-phenylcyclopropyl)-5-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 159524571
5-bromo-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-bromo-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclohexyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopentyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 159636513
(5-chloro-1H-indol-2-yl)-[4-(2,4-dimethylphenoxy)piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(3-methylphenoxy)piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone;[4-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone
CID 159889365
1-(5-bromo-1H-indol-2-yl)-2-[1-(1-methylpyrazol-4-yl)cyclobutyl]ethanone;5-chloro-N-[1-(1-methylpyrazol-4-yl)propan-2-yl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-ethoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-ethoxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;2-[1-(1-methylpyrazol-4-yl)cyclobutyl]-1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone
CID 160315790

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1-methylpiperidin-4-yl)-phenylmethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide;5-ethoxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-propan-2-yloxy-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide?
The IUPAC name of 5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1-methylpiperidin-4-yl)-phenylmethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide;5-ethoxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-propan-2-yloxy-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide (CID 157127123) is 5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1-methylpiperidin-4-yl)-phenylmethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide;5-ethoxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-propan-2-yloxy-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1-methylpiperidin-4-yl)-phenylmethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide;5-ethoxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-propan-2-yloxy-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1-methylpiperidin-4-yl)-phenylmethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide;5-ethoxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-propan-2-yloxy-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide is CC(C)Oc1ccc2[nH]c(C(=O)N[C@H](C)c3ccccc3)cc2c1.CCOc1ccc2[nH]c(C(=O)N[C@H](C)c3ccccc3)cc2c1.CCc1ccc2[nH]c(C(=O)N[C@H](C)c3ccccc3)cc2c1.CN1CCC(C(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c2ccccc2)CC1.C[C@@H](NC(=O)C1Cc2cc(Cl)ccc2N1)c1ccccc1.C[C@@H](NC(=O)c1cc2cc(Br)ccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2cc(OC(F)(F)F)ccc2[nH]1)c1ccccc1.
What is the InChIKey of 5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1-methylpiperidin-4-yl)-phenylmethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide;5-ethoxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-propan-2-yloxy-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide?
The InChIKey is AIQCCALCLNCAOB-MJXNLDMJSA-N. The full InChI is InChI=1S/C22H24ClN3O.C20H22N2O2.C19H20N2O2.C19H20N2O.C18H15F3N2O2.C17H15BrN2O.C17H17ClN2O/c1-26-11-9-16(10-12-26)21(15-5-3-2-4-6-15)25-22(27)20-14-17-13-18(23)7-8-19(17)24-20;1-13(2)24-17-9-10-18-16(11-17)12-19(22-18)20(23)21-14(3)15-7-5-4-6-8-15;1-3-23-16-9-10-17-15(11-16)12-18(21-17)19(22)20-13(2)14-7-5-4-6-8-14;1-3-14-9-10-17-16(11-14)12-18(21-17)19(22)20-13(2)15-7-5-4-6-8-15;1-11(12-5-3-2-4-6-12)22-17(24)16-10-13-9-14(25-18(19,20)21)7-8-15(13)23-16;2*1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16/h2-8,13-14,16,21,24H,9-12H2,1H3,(H,25,27);4-14,22H,1-3H3,(H,21,23);4-13,21H,3H2,1-2H3,(H,20,22);4-13,21H,3H2,1-2H3,(H,20,22);2-11,23H,1H3,(H,22,24);2-11,20H,1H3,(H,19,21);2-9,11,16,20H,10H2,1H3,(H,19,21)/t;14-;2*13-;2*11-;11-,16?/m.111111/s1.
What are the key properties of 5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1-methylpiperidin-4-yl)-phenylmethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide;5-ethoxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-propan-2-yloxy-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide?
5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1-methylpiperidin-4-yl)-phenylmethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide;5-ethoxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-propan-2-yloxy-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide has a molecular weight of 2297.41 g/mol, XLogP of 29.89, 28 rotatable bonds, 14 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1-methylpiperidin-4-yl)-phenylmethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide;5-ethoxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-propan-2-yloxy-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide is sourced from PubChem (CID 157127123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).