5-amino-N-(2-bromo-4-methylphenyl)-1H-indole-3-carboxamide

C16H14BrN3O — CID 63116424

IUPAC5-amino-N-(2-bromo-4-methylphenyl)-1H-indole-3-carboxamide
SMILESCc1ccc(NC(=O)c2c[nH]c3ccc(N)cc23)c(Br)c1
InChIInChI=1S/C16H14BrN3O/c1-9-2-4-15(13(17)6-9)20-16(21)12-8-19-14-5-3-10(18)7-11(12)14/h2-8,19H,18H2,1H3,(H,20,21)
InChIKeyFMKVPBDWMNQTQO-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.07
Rot. Bonds2

About 5-amino-N-(2-bromo-4-methylphenyl)-1H-indole-3-carboxamide

5-amino-N-(2-bromo-4-methylphenyl)-1H-indole-3-carboxamide (PubChem CID 63116424) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 5-amino-N-(2-bromo-4-methylphenyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-bromo-4-methylphenyl)-1H-indole-3-carboxamide
PubChem CID63116424
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name5-amino-N-(2-bromo-4-methylphenyl)-1H-indole-3-carboxamide
SMILESCc1ccc(NC(=O)c2c[nH]c3ccc(N)cc23)c(Br)c1
InChIInChI=1S/C16H14BrN3O/c1-9-2-4-15(13(17)6-9)20-16(21)12-8-19-14-5-3-10(18)7-11(12)14/h2-8,19H,18H2,1H3,(H,20,21)
InChIKeyFMKVPBDWMNQTQO-UHFFFAOYSA-N
XLogP4.07
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-N-(2-bromo-4-methylphenyl)-1H-indole-3-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

N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-3-carboxamide
CID 113205741
N-(2-bromo-4-methylphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206110
5-amino-N-(2,6-dibromophenyl)-1H-indole-3-carboxamide
CID 107596138
5-amino-N-(2-methylsulfanylphenyl)-1H-indole-3-carboxamide
CID 63116828
5-amino-N-(2-chlorophenyl)-1H-indole-3-carboxamide
CID 63116419
5-amino-N-phenyl-1H-indole-3-carboxamide
CID 63116510
5-amino-N-(3-hydroxy-4-methylphenyl)-1H-indole-3-carboxamide
CID 107699365
5-amino-N-pyrimidin-2-yl-1H-indole-3-carboxamide
CID 63117023
5-amino-N-(2,5-dimethylpyrazol-3-yl)-1H-indole-3-carboxamide
CID 63116359
5-amino-N-(4-fluoro-3-methylphenyl)-1H-indole-3-carboxamide
CID 63117335
N-(2,4-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206042
4-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
CID 62153202

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-bromo-4-methylphenyl)-1H-indole-3-carboxamide?
The IUPAC name of 5-amino-N-(2-bromo-4-methylphenyl)-1H-indole-3-carboxamide (CID 63116424) is 5-amino-N-(2-bromo-4-methylphenyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 5-amino-N-(2-bromo-4-methylphenyl)-1H-indole-3-carboxamide?
The canonical SMILES for 5-amino-N-(2-bromo-4-methylphenyl)-1H-indole-3-carboxamide is Cc1ccc(NC(=O)c2c[nH]c3ccc(N)cc23)c(Br)c1.
What is the InChIKey of 5-amino-N-(2-bromo-4-methylphenyl)-1H-indole-3-carboxamide?
The InChIKey is FMKVPBDWMNQTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-9-2-4-15(13(17)6-9)20-16(21)12-8-19-14-5-3-10(18)7-11(12)14/h2-8,19H,18H2,1H3,(H,20,21).
What are the key properties of 5-amino-N-(2-bromo-4-methylphenyl)-1H-indole-3-carboxamide?
5-amino-N-(2-bromo-4-methylphenyl)-1H-indole-3-carboxamide has a molecular weight of 344.21 g/mol, XLogP of 4.07, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-bromo-4-methylphenyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 63116424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).