3-bromo-N-(4-propylphenyl)-1H-indole-2-carboxamide

C18H17BrN2O — CID 112827860

IUPAC3-bromo-N-(4-propylphenyl)-1H-indole-2-carboxamide
SMILESCCCc1ccc(NC(=O)c2[nH]c3ccccc3c2Br)cc1
InChIInChI=1S/C18H17BrN2O/c1-2-5-12-8-10-13(11-9-12)20-18(22)17-16(19)14-6-3-4-7-15(14)21-17/h3-4,6-11,21H,2,5H2,1H3,(H,20,22)
InChIKeyDSBFWTMNIJBCGF-UHFFFAOYSA-N
MW357.25 g/mol
LogP5.14
Rot. Bonds4

About 3-bromo-N-(4-propylphenyl)-1H-indole-2-carboxamide

3-bromo-N-(4-propylphenyl)-1H-indole-2-carboxamide (PubChem CID 112827860) has the molecular formula C18H17BrN2O and a molecular weight of 357.25 g/mol. Its IUPAC name is 3-bromo-N-(4-propylphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(4-propylphenyl)-1H-indole-2-carboxamide
PubChem CID112827860
Molecular FormulaC18H17BrN2O
Molecular Weight357.25 g/mol
Exact Mass356.05
IUPAC Name3-bromo-N-(4-propylphenyl)-1H-indole-2-carboxamide
SMILESCCCc1ccc(NC(=O)c2[nH]c3ccccc3c2Br)cc1
InChIInChI=1S/C18H17BrN2O/c1-2-5-12-8-10-13(11-9-12)20-18(22)17-16(19)14-6-3-4-7-15(14)21-17/h3-4,6-11,21H,2,5H2,1H3,(H,20,22)
InChIKeyDSBFWTMNIJBCGF-UHFFFAOYSA-N
XLogP5.14
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.25
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 3-bromo-N-(4-propylphenyl)-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-(4-bromophenyl)-1H-indole-2-carboxamide
CID 47212938
N-(4-ethylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204265
ethyl (E)-3-[4-[(3-bromo-1H-indole-2-carbonyl)amino]phenyl]prop-2-enoate
CID 94136409
3-bromo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide
CID 60541866
3-bromo-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-indole-2-carboxamide
CID 49422928
3-bromo-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1H-indole-2-carboxamide
CID 55914989
3-bromo-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide
CID 55965072
3-bromo-N-(2-oxochromen-6-yl)-1H-indole-2-carboxamide
CID 55978070
N-[2-(benzylamino)-2-oxoethyl]-3-bromo-1H-indole-2-carboxamide
CID 55818483
3-[2-(4-ethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 4688274
(2S,3S)-2-[(3-bromo-1H-indole-2-carbonyl)amino]-3-methylpentanoic acid
CID 119194043
2-fluoro-N-(4-propylphenyl)benzamide
CID 8803034

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-propylphenyl)-1H-indole-2-carboxamide?
The IUPAC name of 3-bromo-N-(4-propylphenyl)-1H-indole-2-carboxamide (CID 112827860) is 3-bromo-N-(4-propylphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(4-propylphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 3-bromo-N-(4-propylphenyl)-1H-indole-2-carboxamide is CCCc1ccc(NC(=O)c2[nH]c3ccccc3c2Br)cc1.
What is the InChIKey of 3-bromo-N-(4-propylphenyl)-1H-indole-2-carboxamide?
The InChIKey is DSBFWTMNIJBCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O/c1-2-5-12-8-10-13(11-9-12)20-18(22)17-16(19)14-6-3-4-7-15(14)21-17/h3-4,6-11,21H,2,5H2,1H3,(H,20,22).
What are the key properties of 3-bromo-N-(4-propylphenyl)-1H-indole-2-carboxamide?
3-bromo-N-(4-propylphenyl)-1H-indole-2-carboxamide has a molecular weight of 357.25 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-propylphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 112827860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).