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

C16H15BrN2O — CID 63334695

IUPACN-(3-bromo-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)CCN3)cc1Br
InChIInChI=1S/C16H15BrN2O/c1-10-2-4-13(9-14(10)17)19-16(20)12-3-5-15-11(8-12)6-7-18-15/h2-5,8-9,18H,6-7H2,1H3,(H,19,20)
InChIKeyZKMPQAKKUDSYAB-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.98
Rot. Bonds2

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

N-(3-bromo-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide (PubChem CID 63334695) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
PubChem CID63334695
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC NameN-(3-bromo-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)CCN3)cc1Br
InChIInChI=1S/C16H15BrN2O/c1-10-2-4-13(9-14(10)17)19-16(20)12-3-5-15-11(8-12)6-7-18-15/h2-5,8-9,18H,6-7H2,1H3,(H,19,20)
InChIKeyZKMPQAKKUDSYAB-UHFFFAOYSA-N
XLogP3.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-bromo-4-methylphenyl)-2,3-dihydro-1H-indole-5-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-(3-bromo-5-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 107583383
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
5-bromo-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzamide
CID 65312010
N-(3-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104938285
N-(2-bromophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325607
2-bromo-N-(2,3-dihydro-1H-indol-5-yl)-5-methylbenzamide
CID 81112809
N-(2,3-dihydro-1H-indol-5-yl)-4-iodobenzamide
CID 63252905
N-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104618997
N-[4-(2-hydroxyethyl)phenyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 61237345
N-(2,3-dihydro-1H-indol-5-yl)-2,4-dimethylbenzamide
CID 63252782
N-(2,3-dihydro-1H-indol-5-yl)-4-methylsulfanylbenzamide
CID 79217122
N-(1H-indol-5-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 61250452

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide (CID 63334695) is N-(3-bromo-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide is Cc1ccc(NC(=O)c2ccc3c(c2)CCN3)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide?
The InChIKey is ZKMPQAKKUDSYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-10-2-4-13(9-14(10)17)19-16(20)12-3-5-15-11(8-12)6-7-18-15/h2-5,8-9,18H,6-7H2,1H3,(H,19,20).
What are the key properties of N-(3-bromo-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide?
N-(3-bromo-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide has a molecular weight of 331.21 g/mol, XLogP of 3.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide is sourced from PubChem (CID 63334695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).