6-bromo-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-1H-indole-2-carboxamide

C19H15BrClN3O2 — CID 55969655

IUPAC6-bromo-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)NC2CC2)c(Cl)c1)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C19H15BrClN3O2/c20-11-2-1-10-7-17(24-16(10)8-11)19(26)23-13-5-6-14(15(21)9-13)18(25)22-12-3-4-12/h1-2,5-9,12,24H,3-4H2,(H,22,25)(H,23,26)
InChIKeyZPVLOHOGUDKIFJ-UHFFFAOYSA-N
MW432.71 g/mol
LogP4.73
Rot. Bonds4

About 6-bromo-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-1H-indole-2-carboxamide

6-bromo-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-1H-indole-2-carboxamide (PubChem CID 55969655) has the molecular formula C19H15BrClN3O2 and a molecular weight of 432.71 g/mol. Its IUPAC name is 6-bromo-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-1H-indole-2-carboxamide
PubChem CID55969655
Molecular FormulaC19H15BrClN3O2
Molecular Weight432.71 g/mol
Exact Mass431.00
IUPAC Name6-bromo-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)NC2CC2)c(Cl)c1)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C19H15BrClN3O2/c20-11-2-1-10-7-17(24-16(10)8-11)19(26)23-13-5-6-14(15(21)9-13)18(25)22-12-3-4-12/h1-2,5-9,12,24H,3-4H2,(H,22,25)(H,23,26)
InChIKeyZPVLOHOGUDKIFJ-UHFFFAOYSA-N
XLogP4.73
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.71
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-(3-bromophenyl)-1H-indole-2-carboxamide
CID 175535404
N-(4-bromophenyl)-6-chloro-1H-indole-2-carboxamide
CID 113207573
N-[4-(2-amino-2-oxoethyl)phenyl]-6-bromo-1H-indole-2-carboxamide
CID 31861888
(3R)-3-[(6-bromo-1H-indole-2-carbonyl)amino]pyrrolidine-1-carboxylic acid
CID 122590915
N-(3-chloro-4-fluorophenyl)-6-fluoro-1H-indole-2-carboxamide
CID 113207472
cis-(1S,3R)-3-[(4-bromo-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675321
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-chlorobenzamide;hydrochloride
CID 119459232
4-bromo-2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 63935703
5-bromo-2-chloro-N-cyclopentylbenzamide
CID 2953820
4-bromo-2-chloro-N-piperidin-3-ylbenzamide
CID 63321001
N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 55805245
5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-bromo-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-1H-indole-2-carboxamide (CID 55969655) is 6-bromo-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-bromo-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-1H-indole-2-carboxamide is O=C(Nc1ccc(C(=O)NC2CC2)c(Cl)c1)c1cc2ccc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-1H-indole-2-carboxamide?
The InChIKey is ZPVLOHOGUDKIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClN3O2/c20-11-2-1-10-7-17(24-16(10)8-11)19(26)23-13-5-6-14(15(21)9-13)18(25)22-12-3-4-12/h1-2,5-9,12,24H,3-4H2,(H,22,25)(H,23,26).
What are the key properties of 6-bromo-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-1H-indole-2-carboxamide?
6-bromo-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-1H-indole-2-carboxamide has a molecular weight of 432.71 g/mol, XLogP of 4.73, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 55969655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).