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

C24H17BrClN7O2 — CID 67552598

IUPACN-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-7-[[2-(4-chlorophenyl)acetyl]amino]-1H-indole-2-carboxamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cccc2cc(C(=O)Nc3ccc(Br)cc3-c3nn[nH]n3)[nH]c12
InChIInChI=1S/C24H17BrClN7O2/c25-15-6-9-18(17(12-15)23-30-32-33-31-23)29-24(35)20-11-14-2-1-3-19(22(14)28-20)27-21(34)10-13-4-7-16(26)8-5-13/h1-9,11-12,28H,10H2,(H,27,34)(H,29,35)(H,30,31,32,33)
InChIKeyMZWHZJDGILLEFF-UHFFFAOYSA-N
MW550.80 g/mol
LogP5.20
Rot. Bonds6

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

N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-7-[[2-(4-chlorophenyl)acetyl]amino]-1H-indole-2-carboxamide (PubChem CID 67552598) has the molecular formula C24H17BrClN7O2 and a molecular weight of 550.80 g/mol. Its IUPAC name is N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-7-[[2-(4-chlorophenyl)acetyl]amino]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-7-[[2-(4-chlorophenyl)acetyl]amino]-1H-indole-2-carboxamide
PubChem CID67552598
Molecular FormulaC24H17BrClN7O2
Molecular Weight550.80 g/mol
Exact Mass549.03
IUPAC NameN-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-7-[[2-(4-chlorophenyl)acetyl]amino]-1H-indole-2-carboxamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cccc2cc(C(=O)Nc3ccc(Br)cc3-c3nn[nH]n3)[nH]c12
InChIInChI=1S/C24H17BrClN7O2/c25-15-6-9-18(17(12-15)23-30-32-33-31-23)29-24(35)20-11-14-2-1-3-19(22(14)28-20)27-21(34)10-13-4-7-16(26)8-5-13/h1-9,11-12,28H,10H2,(H,27,34)(H,29,35)(H,30,31,32,33)
InChIKeyMZWHZJDGILLEFF-UHFFFAOYSA-N
XLogP5.20
TPSA128.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.80
LogP ≤ 55.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indole-2-carboxamide
CID 67551733
N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-7-(propanoylamino)-1H-indole-2-carboxamide
CID 67552374
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]-7-(cyclohexanecarbonylamino)-1H-indole-2-carboxamide
CID 67552397
N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1H-indole-2-carboxamide
CID 67552245
N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-7-(octanoylamino)-1H-indole-2-carboxamide
CID 67551609
N-(4-bromo-2-chlorophenyl)-2-(4-chlorophenyl)acetamide
CID 1310243
N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1-methyl-7-phenylindole-2-carboxamide
CID 67552441
N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1,2-benzoxazole-3-carboxamide
CID 67551375
N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]cyclopentanecarboxamide
CID 126830344
(E)-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide
CID 25064125
N-(4-bromophenyl)-7-chloro-1H-indole-2-carboxamide
CID 108791596

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-7-[[2-(4-chlorophenyl)acetyl]amino]-1H-indole-2-carboxamide?
The IUPAC name of N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-7-[[2-(4-chlorophenyl)acetyl]amino]-1H-indole-2-carboxamide (CID 67552598) is N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-7-[[2-(4-chlorophenyl)acetyl]amino]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-7-[[2-(4-chlorophenyl)acetyl]amino]-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-7-[[2-(4-chlorophenyl)acetyl]amino]-1H-indole-2-carboxamide is O=C(Cc1ccc(Cl)cc1)Nc1cccc2cc(C(=O)Nc3ccc(Br)cc3-c3nn[nH]n3)[nH]c12.
What is the InChIKey of N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-7-[[2-(4-chlorophenyl)acetyl]amino]-1H-indole-2-carboxamide?
The InChIKey is MZWHZJDGILLEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrClN7O2/c25-15-6-9-18(17(12-15)23-30-32-33-31-23)29-24(35)20-11-14-2-1-3-19(22(14)28-20)27-21(34)10-13-4-7-16(26)8-5-13/h1-9,11-12,28H,10H2,(H,27,34)(H,29,35)(H,30,31,32,33).
What are the key properties of N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-7-[[2-(4-chlorophenyl)acetyl]amino]-1H-indole-2-carboxamide?
N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-7-[[2-(4-chlorophenyl)acetyl]amino]-1H-indole-2-carboxamide has a molecular weight of 550.80 g/mol, XLogP of 5.20, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-7-[[2-(4-chlorophenyl)acetyl]amino]-1H-indole-2-carboxamide is sourced from PubChem (CID 67552598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).