N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indole-2-carboxamide

C25H20ClN7O3 — CID 67551733

IUPACN-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indole-2-carboxamide
SMILESCOc1ccc(CC(=O)Nc2cccc3cc(C(=O)Nc4ccc(Cl)cc4-c4nn[nH]n4)[nH]c23)cc1
InChIInChI=1S/C25H20ClN7O3/c1-36-17-8-5-14(6-9-17)11-22(34)27-20-4-2-3-15-12-21(28-23(15)20)25(35)29-19-10-7-16(26)13-18(19)24-30-32-33-31-24/h2-10,12-13,28H,11H2,1H3,(H,27,34)(H,29,35)(H,30,31,32,33)
InChIKeyPWAJFKQHRMASRR-UHFFFAOYSA-N
MW501.93 g/mol
LogP4.44
Rot. Bonds7

About N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indole-2-carboxamide

N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indole-2-carboxamide (PubChem CID 67551733) has the molecular formula C25H20ClN7O3 and a molecular weight of 501.93 g/mol. Its IUPAC name is N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indole-2-carboxamide
PubChem CID67551733
Molecular FormulaC25H20ClN7O3
Molecular Weight501.93 g/mol
Exact Mass501.13
IUPAC NameN-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indole-2-carboxamide
SMILESCOc1ccc(CC(=O)Nc2cccc3cc(C(=O)Nc4ccc(Cl)cc4-c4nn[nH]n4)[nH]c23)cc1
InChIInChI=1S/C25H20ClN7O3/c1-36-17-8-5-14(6-9-17)11-22(34)27-20-4-2-3-15-12-21(28-23(15)20)25(35)29-19-10-7-16(26)13-18(19)24-30-32-33-31-24/h2-10,12-13,28H,11H2,1H3,(H,27,34)(H,29,35)(H,30,31,32,33)
InChIKeyPWAJFKQHRMASRR-UHFFFAOYSA-N
XLogP4.44
TPSA137.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.93
LogP ≤ 54.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(propanoylamino)-1H-indole-2-carboxamide
CID 67552374
N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-7-[[2-(4-chlorophenyl)acetyl]amino]-1H-indole-2-carboxamide
CID 67552598
N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-7-(octanoylamino)-1H-indole-2-carboxamide
CID 67551609
N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-7-(cyclopropanecarbonylamino)-1H-indole-2-carboxamide
CID 67552288
7-amino-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1H-indole-2-carboxamide
CID 67551838
N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-(2-methoxyethyl)indole-2-carboxamide
CID 67552525
N-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 893789
N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1H-indole-2-carboxamide
CID 67552245
N-(2-bromo-4-chlorophenyl)-2-(4-methoxyphenyl)acetamide
CID 81028782
N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-(dipropylsulfamoyl)benzamide
CID 42630773
4-chloro-N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]benzamide
CID 31966118
N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-pentylindole-2-carboxamide
CID 67551620

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indole-2-carboxamide?
The IUPAC name of N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indole-2-carboxamide (CID 67551733) is N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indole-2-carboxamide is COc1ccc(CC(=O)Nc2cccc3cc(C(=O)Nc4ccc(Cl)cc4-c4nn[nH]n4)[nH]c23)cc1.
What is the InChIKey of N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indole-2-carboxamide?
The InChIKey is PWAJFKQHRMASRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN7O3/c1-36-17-8-5-14(6-9-17)11-22(34)27-20-4-2-3-15-12-21(28-23(15)20)25(35)29-19-10-7-16(26)13-18(19)24-30-32-33-31-24/h2-10,12-13,28H,11H2,1H3,(H,27,34)(H,29,35)(H,30,31,32,33).
What are the key properties of N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indole-2-carboxamide?
N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indole-2-carboxamide has a molecular weight of 501.93 g/mol, XLogP of 4.44, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indole-2-carboxamide is sourced from PubChem (CID 67551733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).