N-[(3-bromophenyl)methyl]-N-methyl-1H-indole-3-carboxamide

C17H15BrN2O — CID 61042579

IUPACN-[(3-bromophenyl)methyl]-N-methyl-1H-indole-3-carboxamide
SMILESCN(Cc1cccc(Br)c1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H15BrN2O/c1-20(11-12-5-4-6-13(18)9-12)17(21)15-10-19-16-8-3-2-7-14(15)16/h2-10,19H,11H2,1H3
InChIKeyUURVIPHCQBRUSP-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.20
Rot. Bonds3

About N-[(3-bromophenyl)methyl]-N-methyl-1H-indole-3-carboxamide

N-[(3-bromophenyl)methyl]-N-methyl-1H-indole-3-carboxamide (PubChem CID 61042579) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N-methyl-1H-indole-3-carboxamide
PubChem CID61042579
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC NameN-[(3-bromophenyl)methyl]-N-methyl-1H-indole-3-carboxamide
SMILESCN(Cc1cccc(Br)c1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H15BrN2O/c1-20(11-12-5-4-6-13(18)9-12)17(21)15-10-19-16-8-3-2-7-14(15)16/h2-10,19H,11H2,1H3
InChIKeyUURVIPHCQBRUSP-UHFFFAOYSA-N
XLogP4.20
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(3-bromophenyl)methyl]-N-methyl-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-[(4-acetamidophenyl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 131842101
N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 61378055
2-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide
CID 107982324
2-bromo-N-[(3-bromophenyl)methyl]-N-methylfuran-3-carboxamide
CID 106852279
N-(1H-imidazol-2-ylmethyl)-N-methyl-1H-indole-3-carboxamide
CID 63939451
N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-carboxamide
CID 60891221
2-bromo-N-[(3-bromophenyl)methyl]-5-fluoro-N-methylbenzamide
CID 60736552
5-bromo-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 126648643
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 17480468
N-[(3-bromophenyl)methyl]-N-methylpyrimidine-5-carboxamide
CID 104626014
3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide
CID 54916014
2-amino-N-[(3-bromophenyl)methyl]-3-chloro-N-methylbenzamide
CID 115540438

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N-methyl-1H-indole-3-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-N-methyl-1H-indole-3-carboxamide (CID 61042579) is N-[(3-bromophenyl)methyl]-N-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N-methyl-1H-indole-3-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N-methyl-1H-indole-3-carboxamide is CN(Cc1cccc(Br)c1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N-methyl-1H-indole-3-carboxamide?
The InChIKey is UURVIPHCQBRUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-20(11-12-5-4-6-13(18)9-12)17(21)15-10-19-16-8-3-2-7-14(15)16/h2-10,19H,11H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-N-methyl-1H-indole-3-carboxamide?
N-[(3-bromophenyl)methyl]-N-methyl-1H-indole-3-carboxamide has a molecular weight of 343.22 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-N-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 61042579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).