5-chloro-N-[(3S)-3-[(4-methylbenzoyl)amino]-2-oxo-4-phenylbutyl]-2-(tetrazol-1-yl)benzamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3,6-dioxo-1-phenylhexan-2-yl]-4-methylbenzamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-oxo-1-phenylhexan-2-yl]-3H-isoindole-1-carboxamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-oxo-1-phenylhexan-2-yl]-3-methyl-2H-indazole-6-carboxamide

C109H98Cl4N24O10 — CID 161035946

IUPAC5-chloro-N-[(3S)-3-[(4-methylbenzoyl)amino]-2-oxo-4-phenylbutyl]-2-(tetrazol-1-yl)benzamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3,6-dioxo-1-phenylhexan-2-yl]-4-methylbenzamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-oxo-1-phenylhexan-2-yl]-3H-isoindole-1-carboxamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-oxo-1-phenylhexan-2-yl]-3-methyl-2H-indazole-6-carboxamide
SMILESCc1[nH]nc2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)CCCc3cc(Cl)ccc3-n3cnnn3)ccc12.Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)CCC(=O)c2cc(Cl)ccc2-n2cnnn2)cc1.Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)CNC(=O)c2cc(Cl)ccc2-n2cnnn2)cc1.O=C(N[C@@H](Cc1ccccc1)C(=O)CCCc1cc(Cl)ccc1-n1cnnn1)C1=NCc2ccccc21
InChIInChI=1S/C28H26ClN7O2.C28H25ClN6O2.C27H24ClN5O3.C26H23ClN6O3/c1-18-23-12-10-21(16-24(23)33-32-18)28(38)31-25(14-19-6-3-2-4-7-19)27(37)9-5-8-20-15-22(29)11-13-26(20)36-17-30-34-35-36;29-22-13-14-25(35-18-31-33-34-35)20(16-22)10-6-12-26(36)24(15-19-7-2-1-3-8-19)32-28(37)27-23-11-5-4-9-21(23)17-30-27;1-18-7-9-20(10-8-18)27(36)30-23(15-19-5-3-2-4-6-19)26(35)14-13-25(34)22-16-21(28)11-12-24(22)33-17-29-31-32-33;1-17-7-9-19(10-8-17)25(35)30-22(13-18-5-3-2-4-6-18)24(34)15-28-26(36)21-14-20(27)11-12-23(21)33-16-29-31-32-33/h2-4,6-7,10-13,15-17,25H,5,8-9,14H2,1H3,(H,31,38)(H,32,33);1-5,7-9,11,13-14,16,18,24H,6,10,12,15,17H2,(H,32,37);2-12,16-17,23H,13-15H2,1H3,(H,30,36);2-12,14,16,22H,13,15H2,1H3,(H,28,36)(H,30,35)/t25-;24-;23-;22-/m0000/s1
InChIKeyUAGDQVQQMJMMFM-MVCBPJNOSA-N
MW2045.95 g/mol
LogP15.53
Rot. Bonds39

About 5-chloro-N-[(3S)-3-[(4-methylbenzoyl)amino]-2-oxo-4-phenylbutyl]-2-(tetrazol-1-yl)benzamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3,6-dioxo-1-phenylhexan-2-yl]-4-methylbenzamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-oxo-1-phenylhexan-2-yl]-3H-isoindole-1-carboxamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-oxo-1-phenylhexan-2-yl]-3-methyl-2H-indazole-6-carboxamide

5-chloro-N-[(3S)-3-[(4-methylbenzoyl)amino]-2-oxo-4-phenylbutyl]-2-(tetrazol-1-yl)benzamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3,6-dioxo-1-phenylhexan-2-yl]-4-methylbenzamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-oxo-1-phenylhexan-2-yl]-3H-isoindole-1-carboxamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-oxo-1-phenylhexan-2-yl]-3-methyl-2H-indazole-6-carboxamide (PubChem CID 161035946) has the molecular formula C109H98Cl4N24O10 and a molecular weight of 2045.95 g/mol. Its IUPAC name is 5-chloro-N-[(3S)-3-[(4-methylbenzoyl)amino]-2-oxo-4-phenylbutyl]-2-(tetrazol-1-yl)benzamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3,6-dioxo-1-phenylhexan-2-yl]-4-methylbenzamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-oxo-1-phenylhexan-2-yl]-3H-isoindole-1-carboxamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-oxo-1-phenylhexan-2-yl]-3-methyl-2H-indazole-6-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3S)-3-[(4-methylbenzoyl)amino]-2-oxo-4-phenylbutyl]-2-(tetrazol-1-yl)benzamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3,6-dioxo-1-phenylhexan-2-yl]-4-methylbenzamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-oxo-1-phenylhexan-2-yl]-3H-isoindole-1-carboxamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-oxo-1-phenylhexan-2-yl]-3-methyl-2H-indazole-6-carboxamide
PubChem CID161035946
Molecular FormulaC109H98Cl4N24O10
Molecular Weight2045.95 g/mol
Exact Mass2042.67
IUPAC Name5-chloro-N-[(3S)-3-[(4-methylbenzoyl)amino]-2-oxo-4-phenylbutyl]-2-(tetrazol-1-yl)benzamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3,6-dioxo-1-phenylhexan-2-yl]-4-methylbenzamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-oxo-1-phenylhexan-2-yl]-3H-isoindole-1-carboxamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-oxo-1-phenylhexan-2-yl]-3-methyl-2H-indazole-6-carboxamide
SMILESCc1[nH]nc2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)CCCc3cc(Cl)ccc3-n3cnnn3)ccc12.Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)CCC(=O)c2cc(Cl)ccc2-n2cnnn2)cc1.Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)CNC(=O)c2cc(Cl)ccc2-n2cnnn2)cc1.O=C(N[C@@H](Cc1ccccc1)C(=O)CCCc1cc(Cl)ccc1-n1cnnn1)C1=NCc2ccccc21
InChIInChI=1S/C28H26ClN7O2.C28H25ClN6O2.C27H24ClN5O3.C26H23ClN6O3/c1-18-23-12-10-21(16-24(23)33-32-18)28(38)31-25(14-19-6-3-2-4-7-19)27(37)9-5-8-20-15-22(29)11-13-26(20)36-17-30-34-35-36;29-22-13-14-25(35-18-31-33-34-35)20(16-22)10-6-12-26(36)24(15-19-7-2-1-3-8-19)32-28(37)27-23-11-5-4-9-21(23)17-30-27;1-18-7-9-20(10-8-18)27(36)30-23(15-19-5-3-2-4-6-19)26(35)14-13-25(34)22-16-21(28)11-12-24(22)33-17-29-31-32-33;1-17-7-9-19(10-8-17)25(35)30-22(13-18-5-3-2-4-6-18)24(34)15-28-26(36)21-14-20(27)11-12-23(21)33-16-29-31-32-33/h2-4,6-7,10-13,15-17,25H,5,8-9,14H2,1H3,(H,31,38)(H,32,33);1-5,7-9,11,13-14,16,18,24H,6,10,12,15,17H2,(H,32,37);2-12,16-17,23H,13-15H2,1H3,(H,30,36);2-12,14,16,22H,13,15H2,1H3,(H,28,36)(H,30,35)/t25-;24-;23-;22-/m0000/s1
InChIKeyUAGDQVQQMJMMFM-MVCBPJNOSA-N
XLogP15.53
TPSA446.29 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds39
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002045.95
LogP ≤ 515.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze 5-chloro-N-[(3S)-3-[(4-methylbenzoyl)amino]-2-oxo-4-phenylbutyl]-2-(tetrazol-1-yl)benzamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3,6-dioxo-1-phenylhexan-2-yl]-4-methylbenzamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-oxo-1-phenylhexan-2-yl]-3H-isoindole-1-carboxamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-oxo-1-phenylhexan-2-yl]-3-methyl-2H-indazole-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3S)-3-[(4-methylbenzoyl)amino]-2-oxo-4-phenylbutyl]-2-(tetrazol-1-yl)benzamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3,6-dioxo-1-phenylhexan-2-yl]-4-methylbenzamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-oxo-1-phenylhexan-2-yl]-3H-isoindole-1-carboxamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-oxo-1-phenylhexan-2-yl]-3-methyl-2H-indazole-6-carboxamide?
The IUPAC name of 5-chloro-N-[(3S)-3-[(4-methylbenzoyl)amino]-2-oxo-4-phenylbutyl]-2-(tetrazol-1-yl)benzamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3,6-dioxo-1-phenylhexan-2-yl]-4-methylbenzamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-oxo-1-phenylhexan-2-yl]-3H-isoindole-1-carboxamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-oxo-1-phenylhexan-2-yl]-3-methyl-2H-indazole-6-carboxamide (CID 161035946) is 5-chloro-N-[(3S)-3-[(4-methylbenzoyl)amino]-2-oxo-4-phenylbutyl]-2-(tetrazol-1-yl)benzamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3,6-dioxo-1-phenylhexan-2-yl]-4-methylbenzamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-oxo-1-phenylhexan-2-yl]-3H-isoindole-1-carboxamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-oxo-1-phenylhexan-2-yl]-3-methyl-2H-indazole-6-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3S)-3-[(4-methylbenzoyl)amino]-2-oxo-4-phenylbutyl]-2-(tetrazol-1-yl)benzamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3,6-dioxo-1-phenylhexan-2-yl]-4-methylbenzamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-oxo-1-phenylhexan-2-yl]-3H-isoindole-1-carboxamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-oxo-1-phenylhexan-2-yl]-3-methyl-2H-indazole-6-carboxamide?
The canonical SMILES for 5-chloro-N-[(3S)-3-[(4-methylbenzoyl)amino]-2-oxo-4-phenylbutyl]-2-(tetrazol-1-yl)benzamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3,6-dioxo-1-phenylhexan-2-yl]-4-methylbenzamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-oxo-1-phenylhexan-2-yl]-3H-isoindole-1-carboxamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-oxo-1-phenylhexan-2-yl]-3-methyl-2H-indazole-6-carboxamide is Cc1[nH]nc2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)CCCc3cc(Cl)ccc3-n3cnnn3)ccc12.Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)CCC(=O)c2cc(Cl)ccc2-n2cnnn2)cc1.Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)CNC(=O)c2cc(Cl)ccc2-n2cnnn2)cc1.O=C(N[C@@H](Cc1ccccc1)C(=O)CCCc1cc(Cl)ccc1-n1cnnn1)C1=NCc2ccccc21.
What is the InChIKey of 5-chloro-N-[(3S)-3-[(4-methylbenzoyl)amino]-2-oxo-4-phenylbutyl]-2-(tetrazol-1-yl)benzamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3,6-dioxo-1-phenylhexan-2-yl]-4-methylbenzamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-oxo-1-phenylhexan-2-yl]-3H-isoindole-1-carboxamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-oxo-1-phenylhexan-2-yl]-3-methyl-2H-indazole-6-carboxamide?
The InChIKey is UAGDQVQQMJMMFM-MVCBPJNOSA-N. The full InChI is InChI=1S/C28H26ClN7O2.C28H25ClN6O2.C27H24ClN5O3.C26H23ClN6O3/c1-18-23-12-10-21(16-24(23)33-32-18)28(38)31-25(14-19-6-3-2-4-7-19)27(37)9-5-8-20-15-22(29)11-13-26(20)36-17-30-34-35-36;29-22-13-14-25(35-18-31-33-34-35)20(16-22)10-6-12-26(36)24(15-19-7-2-1-3-8-19)32-28(37)27-23-11-5-4-9-21(23)17-30-27;1-18-7-9-20(10-8-18)27(36)30-23(15-19-5-3-2-4-6-19)26(35)14-13-25(34)22-16-21(28)11-12-24(22)33-17-29-31-32-33;1-17-7-9-19(10-8-17)25(35)30-22(13-18-5-3-2-4-6-18)24(34)15-28-26(36)21-14-20(27)11-12-23(21)33-16-29-31-32-33/h2-4,6-7,10-13,15-17,25H,5,8-9,14H2,1H3,(H,31,38)(H,32,33);1-5,7-9,11,13-14,16,18,24H,6,10,12,15,17H2,(H,32,37);2-12,16-17,23H,13-15H2,1H3,(H,30,36);2-12,14,16,22H,13,15H2,1H3,(H,28,36)(H,30,35)/t25-;24-;23-;22-/m0000/s1.
What are the key properties of 5-chloro-N-[(3S)-3-[(4-methylbenzoyl)amino]-2-oxo-4-phenylbutyl]-2-(tetrazol-1-yl)benzamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3,6-dioxo-1-phenylhexan-2-yl]-4-methylbenzamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-oxo-1-phenylhexan-2-yl]-3H-isoindole-1-carboxamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-oxo-1-phenylhexan-2-yl]-3-methyl-2H-indazole-6-carboxamide?
5-chloro-N-[(3S)-3-[(4-methylbenzoyl)amino]-2-oxo-4-phenylbutyl]-2-(tetrazol-1-yl)benzamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3,6-dioxo-1-phenylhexan-2-yl]-4-methylbenzamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-oxo-1-phenylhexan-2-yl]-3H-isoindole-1-carboxamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-oxo-1-phenylhexan-2-yl]-3-methyl-2H-indazole-6-carboxamide has a molecular weight of 2045.95 g/mol, XLogP of 15.53, 39 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3S)-3-[(4-methylbenzoyl)amino]-2-oxo-4-phenylbutyl]-2-(tetrazol-1-yl)benzamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3,6-dioxo-1-phenylhexan-2-yl]-4-methylbenzamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-oxo-1-phenylhexan-2-yl]-3H-isoindole-1-carboxamide;N-[(2S)-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-3-oxo-1-phenylhexan-2-yl]-3-methyl-2H-indazole-6-carboxamide is sourced from PubChem (CID 161035946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).