3-[2-(4-chloro-3-fluorophenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;3-[2-(2-fluoro-4-methylphenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;3-[2-(4-fluoro-2-methylphenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide;N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-[2-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]propanamide

C109H106ClF6N15O17 — CID 158989010

IUPAC3-[2-(4-chloro-3-fluorophenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;3-[2-(2-fluoro-4-methylphenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;3-[2-(4-fluoro-2-methylphenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide;N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-[2-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]propanamide
SMILESCOc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@H]2C(=O)NC[C@H]2O)cc1.Cc1cc(F)ccc1-c1[nH]c2ccccc2c1CCC(=O)N[C@@H]1C(=O)NC[C@H]1O.Cc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@H]2C(=O)NC[C@H]2O)c(F)c1.O=C(CCc1c(-c2ccc(Cl)c(F)c2)[nH]c2ccccc12)N[C@@H]1C(=O)NC[C@H]1O.O=C(CCc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2ccccc12)N[C@@H]1C(=O)NC[C@H]1O
InChIInChI=1S/C22H20F3N3O4.2C22H22FN3O3.C22H23N3O4.C21H19ClFN3O3/c23-22(24,25)32-13-7-5-12(6-8-13)19-15(14-3-1-2-4-16(14)27-19)9-10-18(30)28-20-17(29)11-26-21(20)31;1-12-10-13(23)6-7-14(12)20-16(15-4-2-3-5-17(15)25-20)8-9-19(28)26-21-18(27)11-24-22(21)29;1-12-6-7-15(16(23)10-12)20-14(13-4-2-3-5-17(13)25-20)8-9-19(28)26-21-18(27)11-24-22(21)29;1-29-14-8-6-13(7-9-14)20-16(15-4-2-3-5-17(15)24-20)10-11-19(27)25-21-18(26)12-23-22(21)28;22-14-7-5-11(9-15(14)23)19-13(12-3-1-2-4-16(12)25-19)6-8-18(28)26-20-17(27)10-24-21(20)29/h1-8,17,20,27,29H,9-11H2,(H,26,31)(H,28,30);2*2-7,10,18,21,25,27H,8-9,11H2,1H3,(H,24,29)(H,26,28);2-9,18,21,24,26H,10-12H2,1H3,(H,23,28)(H,25,27);1-5,7,9,17,20,25,27H,6,8,10H2,(H,24,29)(H,26,28)/t17-,20+;3*18-,21+;17-,20+/m11111/s1
InChIKeyJPXVLHFLACXWKC-HGFQMKSTSA-N
MW2047.58 g/mol
LogP11.31
Rot. Bonds27

About 3-[2-(4-chloro-3-fluorophenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;3-[2-(2-fluoro-4-methylphenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;3-[2-(4-fluoro-2-methylphenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide;N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-[2-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]propanamide

3-[2-(4-chloro-3-fluorophenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;3-[2-(2-fluoro-4-methylphenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;3-[2-(4-fluoro-2-methylphenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide;N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-[2-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]propanamide (PubChem CID 158989010) has the molecular formula C109H106ClF6N15O17 and a molecular weight of 2047.58 g/mol. Its IUPAC name is 3-[2-(4-chloro-3-fluorophenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;3-[2-(2-fluoro-4-methylphenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;3-[2-(4-fluoro-2-methylphenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide;N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-[2-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]propanamide.

Molecular Properties

Compound Name3-[2-(4-chloro-3-fluorophenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;3-[2-(2-fluoro-4-methylphenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;3-[2-(4-fluoro-2-methylphenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide;N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-[2-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]propanamide
PubChem CID158989010
Molecular FormulaC109H106ClF6N15O17
Molecular Weight2047.58 g/mol
Exact Mass2045.75
IUPAC Name3-[2-(4-chloro-3-fluorophenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;3-[2-(2-fluoro-4-methylphenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;3-[2-(4-fluoro-2-methylphenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide;N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-[2-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]propanamide
SMILESCOc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@H]2C(=O)NC[C@H]2O)cc1.Cc1cc(F)ccc1-c1[nH]c2ccccc2c1CCC(=O)N[C@@H]1C(=O)NC[C@H]1O.Cc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@H]2C(=O)NC[C@H]2O)c(F)c1.O=C(CCc1c(-c2ccc(Cl)c(F)c2)[nH]c2ccccc12)N[C@@H]1C(=O)NC[C@H]1O.O=C(CCc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2ccccc12)N[C@@H]1C(=O)NC[C@H]1O
InChIInChI=1S/C22H20F3N3O4.2C22H22FN3O3.C22H23N3O4.C21H19ClFN3O3/c23-22(24,25)32-13-7-5-12(6-8-13)19-15(14-3-1-2-4-16(14)27-19)9-10-18(30)28-20-17(29)11-26-21(20)31;1-12-10-13(23)6-7-14(12)20-16(15-4-2-3-5-17(15)25-20)8-9-19(28)26-21-18(27)11-24-22(21)29;1-12-6-7-15(16(23)10-12)20-14(13-4-2-3-5-17(13)25-20)8-9-19(28)26-21-18(27)11-24-22(21)29;1-29-14-8-6-13(7-9-14)20-16(15-4-2-3-5-17(15)24-20)10-11-19(27)25-21-18(26)12-23-22(21)28;22-14-7-5-11(9-15(14)23)19-13(12-3-1-2-4-16(12)25-19)6-8-18(28)26-20-17(27)10-24-21(20)29/h1-8,17,20,27,29H,9-11H2,(H,26,31)(H,28,30);2*2-7,10,18,21,25,27H,8-9,11H2,1H3,(H,24,29)(H,26,28);2-9,18,21,24,26H,10-12H2,1H3,(H,23,28)(H,25,27);1-5,7,9,17,20,25,27H,6,8,10H2,(H,24,29)(H,26,28)/t17-,20+;3*18-,21+;17-,20+/m11111/s1
InChIKeyJPXVLHFLACXWKC-HGFQMKSTSA-N
XLogP11.31
TPSA489.56 Ų
H-Bond Donors20
H-Bond Acceptors17
Rotatable Bonds27
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002047.58
LogP ≤ 511.31
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1017

Analyze 3-[2-(4-chloro-3-fluorophenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;3-[2-(2-fluoro-4-methylphenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;3-[2-(4-fluoro-2-methylphenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide;N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-[2-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]propanamide with MolForge

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Related Compounds

N-[(6S,12S,15S,18S,20S,24S,27S,30R,33S,36S)-33-(4-aminobutyl)-20-fluoro-24,27-bis[(5-fluoro-1H-indol-3-yl)methyl]-15-[(1R)-1-hydroxyethyl]-12-[(4-methoxyphenyl)methyl]-6,30-dimethyl-5,11,14,17,23,26,29,32,35,40-decaoxo-4,10,13,16,22,25,28,31,34,41-decazatetracyclo[41.2.2.06,10.018,22]heptatetraconta-1(46),43(47),44-trien-36-yl]acetamide
CID 160080202
(3S,6S,12S,15S,18S,20S,24S,27S,30R,36S)-36-acetamido-20-fluoro-24,27-bis[(5-fluoro-1H-indol-3-yl)methyl]-15-[(1R)-1-hydroxyethyl]-12-[(4-methoxyphenyl)methyl]-6,30-dimethyl-5,11,14,17,23,26,29,32,35-nonaoxo-4,10,13,16,22,25,28,31,34,39-decazatetracyclo[39.2.2.06,10.018,22]pentatetraconta-1(44),41(45),42-triene-3-carboxamide
CID 163709689
(3S,6S,12S,15S,18S,20S,24S,27S,30R,33S,36S)-36-acetamido-33-(4-aminobutyl)-20-fluoro-24,27-bis[(5-fluoro-1H-indol-3-yl)methyl]-15-[(1R)-1-hydroxyethyl]-12-[(4-methoxyphenyl)methyl]-6,30-dimethyl-5,11,14,17,23,26,29,32,35,38-decaoxo-4,10,13,16,22,25,28,31,34,39-decazatetracyclo[39.2.2.06,10.018,22]pentatetraconta-1(44),41(45),42-triene-3-carboxamide
CID 166611819
(3S,6S,12S,15S,18S,20S,24S,27S,30R)-20-fluoro-24,27-bis[(5-fluoro-1H-indol-3-yl)methyl]-15-[(1R)-1-hydroxyethyl]-12-[(4-methoxyphenyl)methyl]-6,30-dimethyl-5,11,14,17,23,26,29,32,35-nonaoxo-4,10,13,16,22,25,28,31,34,40-decazatetracyclo[40.2.2.06,10.018,22]hexatetraconta-1(45),42(46),43-triene-3-carboxamide
CID 166611825
N-[(6S,12S,15S,18S,20S,24S,27S,30R,33S,36S)-33-(4-aminobutyl)-20-fluoro-24,27-bis[(5-fluoro-1H-indol-3-yl)methyl]-15-[(1R)-1-hydroxyethyl]-12-[(4-methoxyphenyl)methyl]-6,30-dimethyl-5,11,14,17,23,26,29,32,35,38-decaoxo-4,10,13,16,22,25,28,31,34,39-decazatetracyclo[39.2.2.06,10.018,22]pentatetraconta-1(44),41(45),42-trien-36-yl]acetamide
CID 166611973
(3S,6S,12S,15S,18S,20S,24S,27S,30R,33S)-33-(4-aminobutyl)-20-fluoro-24,27-bis[(5-fluoro-1H-indol-3-yl)methyl]-15-[(1R)-1-hydroxyethyl]-12-[(4-methoxyphenyl)methyl]-6,30-dimethyl-5,11,14,17,23,26,29,32,35,38-decaoxo-4,10,13,16,22,25,28,31,34,39-decazatetracyclo[39.2.2.06,10.018,22]pentatetraconta-1(44),41(45),42-triene-3-carboxamide
CID 166611974
(6S,12S,15S,18S,20S,24S,27S,30R,33S)-33-(4-aminobutyl)-20-fluoro-24,27-bis[(5-fluoro-1H-indol-3-yl)methyl]-15-[(1S)-1-hydroxyethyl]-12-[(4-methoxyphenyl)methyl]-6,30-dimethyl-4,10,13,16,22,25,28,31,34,39-decazatetracyclo[39.2.2.06,10.018,22]pentatetraconta-1(44),41(45),42-triene-5,11,14,17,23,26,29,32,35,38-decone
CID 166611985
(3S,6S,12S,15S,18S,20S,24S,27S,30R,33S,36S,39E)-36-acetamido-33-(4-aminobutyl)-20-fluoro-24,27-bis[(5-fluoro-1H-indol-3-yl)methyl]-15-[(1R)-1-hydroxyethyl]-12-[(4-methoxyphenyl)methyl]-6,30-dimethyl-5,11,14,17,23,26,29,32,35-nonaoxo-4,10,13,16,22,25,28,31,34-nonazatetracyclo[40.2.2.06,10.018,22]hexatetraconta-1(45),39,42(46),43-tetraene-3-carboxamide
CID 166612002
(3S,6S,12S,15S,18S,20S,24S,27S,30R,33S,36S)-36-acetamido-33-(4-aminobutyl)-20-fluoro-24,27-bis[(5-fluoro-1H-indol-3-yl)methyl]-15-[(1R)-1-hydroxyethyl]-12-[(4-methoxyphenyl)methyl]-6,30-dimethyl-5,11,14,17,23,26,29,32,35-nonaoxo-4,10,13,16,22,25,28,31,34-nonazatetracyclo[40.2.2.06,10.018,22]hexatetraconta-1(45),42(46),43-triene-3-carboxamide
CID 166612004
(3S,6S,12S,15S,18S,20S,24S,27S,30R,33S,36S,40Z)-36-acetamido-33-(4-aminobutyl)-20-fluoro-24,27-bis[(5-fluoro-1H-indol-3-yl)methyl]-15-[(1R)-1-hydroxyethyl]-12-[(4-methoxyphenyl)methyl]-6,30-dimethyl-5,11,14,17,23,26,29,32,35-nonaoxo-4,10,13,16,22,25,28,31,34-nonazatetracyclo[41.2.2.06,10.018,22]heptatetraconta-1(46),40,43(47),44-tetraene-3-carboxamide
CID 162466119
(3S,6S,12S,15S,18S,20S,24S,27S,30R,33S,36S)-36-acetamido-33-(4-aminobutyl)-20-fluoro-24,27-bis[(5-fluoro-1H-indol-3-yl)methyl]-15-[(1R)-1-hydroxyethyl]-12-[(4-methoxyphenyl)methyl]-6,30-dimethyl-5,11,14,17,23,26,29,32,35,38-decaoxo-4,10,13,16,22,25,28,31,34,39-decazatetracyclo[39.4.0.06,10.018,22]pentatetraconta-1(45),41,43-triene-3-carboxamide
CID 166611962
(3S,6S,12S,15S,18S,20S,24S,27S,30R,33S,39Z)-33-(4-aminobutyl)-20-fluoro-24,27-bis[(5-fluoro-1H-indol-3-yl)methyl]-15-[(1R)-1-hydroxyethyl]-12-[(4-methoxyphenyl)methyl]-6,30-dimethyl-5,11,14,17,23,26,29,32,35-nonaoxo-4,10,13,16,22,25,28,31,34-nonazatetracyclo[40.2.2.06,10.018,22]hexatetraconta-1(45),39,42(46),43-tetraene-3-carboxamide
CID 162466126

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chloro-3-fluorophenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;3-[2-(2-fluoro-4-methylphenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;3-[2-(4-fluoro-2-methylphenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide;N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-[2-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]propanamide?
The IUPAC name of 3-[2-(4-chloro-3-fluorophenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;3-[2-(2-fluoro-4-methylphenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;3-[2-(4-fluoro-2-methylphenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide;N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-[2-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]propanamide (CID 158989010) is 3-[2-(4-chloro-3-fluorophenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;3-[2-(2-fluoro-4-methylphenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;3-[2-(4-fluoro-2-methylphenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide;N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-[2-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]propanamide.
What is the SMILES notation for 3-[2-(4-chloro-3-fluorophenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;3-[2-(2-fluoro-4-methylphenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;3-[2-(4-fluoro-2-methylphenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide;N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-[2-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]propanamide?
The canonical SMILES for 3-[2-(4-chloro-3-fluorophenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;3-[2-(2-fluoro-4-methylphenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;3-[2-(4-fluoro-2-methylphenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide;N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-[2-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]propanamide is COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@H]2C(=O)NC[C@H]2O)cc1.Cc1cc(F)ccc1-c1[nH]c2ccccc2c1CCC(=O)N[C@@H]1C(=O)NC[C@H]1O.Cc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@H]2C(=O)NC[C@H]2O)c(F)c1.O=C(CCc1c(-c2ccc(Cl)c(F)c2)[nH]c2ccccc12)N[C@@H]1C(=O)NC[C@H]1O.O=C(CCc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2ccccc12)N[C@@H]1C(=O)NC[C@H]1O.
What is the InChIKey of 3-[2-(4-chloro-3-fluorophenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;3-[2-(2-fluoro-4-methylphenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;3-[2-(4-fluoro-2-methylphenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide;N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-[2-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]propanamide?
The InChIKey is JPXVLHFLACXWKC-HGFQMKSTSA-N. The full InChI is InChI=1S/C22H20F3N3O4.2C22H22FN3O3.C22H23N3O4.C21H19ClFN3O3/c23-22(24,25)32-13-7-5-12(6-8-13)19-15(14-3-1-2-4-16(14)27-19)9-10-18(30)28-20-17(29)11-26-21(20)31;1-12-10-13(23)6-7-14(12)20-16(15-4-2-3-5-17(15)25-20)8-9-19(28)26-21-18(27)11-24-22(21)29;1-12-6-7-15(16(23)10-12)20-14(13-4-2-3-5-17(13)25-20)8-9-19(28)26-21-18(27)11-24-22(21)29;1-29-14-8-6-13(7-9-14)20-16(15-4-2-3-5-17(15)24-20)10-11-19(27)25-21-18(26)12-23-22(21)28;22-14-7-5-11(9-15(14)23)19-13(12-3-1-2-4-16(12)25-19)6-8-18(28)26-20-17(27)10-24-21(20)29/h1-8,17,20,27,29H,9-11H2,(H,26,31)(H,28,30);2*2-7,10,18,21,25,27H,8-9,11H2,1H3,(H,24,29)(H,26,28);2-9,18,21,24,26H,10-12H2,1H3,(H,23,28)(H,25,27);1-5,7,9,17,20,25,27H,6,8,10H2,(H,24,29)(H,26,28)/t17-,20+;3*18-,21+;17-,20+/m11111/s1.
What are the key properties of 3-[2-(4-chloro-3-fluorophenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;3-[2-(2-fluoro-4-methylphenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;3-[2-(4-fluoro-2-methylphenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide;N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-[2-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]propanamide?
3-[2-(4-chloro-3-fluorophenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;3-[2-(2-fluoro-4-methylphenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;3-[2-(4-fluoro-2-methylphenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide;N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-[2-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]propanamide has a molecular weight of 2047.58 g/mol, XLogP of 11.31, 27 rotatable bonds, 20 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chloro-3-fluorophenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;3-[2-(2-fluoro-4-methylphenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;3-[2-(4-fluoro-2-methylphenyl)-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide;N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide;N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-[2-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]propanamide is sourced from PubChem (CID 158989010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).