N-butyl-6-chloro-N-methyl-1H-indole-2-carboxamide

C14H17ClN2O — CID 47169296

IUPACN-butyl-6-chloro-N-methyl-1H-indole-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C14H17ClN2O/c1-3-4-7-17(2)14(18)13-8-10-5-6-11(15)9-12(10)16-13/h5-6,8-9,16H,3-4,7H2,1-2H3
InChIKeyCQWHLCQIZGGWGX-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.69
Rot. Bonds4

About N-butyl-6-chloro-N-methyl-1H-indole-2-carboxamide

N-butyl-6-chloro-N-methyl-1H-indole-2-carboxamide (PubChem CID 47169296) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is N-butyl-6-chloro-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-butyl-6-chloro-N-methyl-1H-indole-2-carboxamide
PubChem CID47169296
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC NameN-butyl-6-chloro-N-methyl-1H-indole-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C14H17ClN2O/c1-3-4-7-17(2)14(18)13-8-10-5-6-11(15)9-12(10)16-13/h5-6,8-9,16H,3-4,7H2,1-2H3
InChIKeyCQWHLCQIZGGWGX-UHFFFAOYSA-N
XLogP3.69
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-butyl-6-chloro-N-methyl-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

6-chloro-N-[2-[(6-chloro-1H-indole-2-carbonyl)-methylamino]ethyl]-N-methyl-1H-indole-2-carboxamide
CID 112843310
6-chloro-N-(3-hydroxybutyl)-N-methyl-1H-indole-2-carboxamide
CID 111695370
N-butyl-5-fluoro-N-methyl-1H-indole-2-carboxamide
CID 17019825
6-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide
CID 109388491
5-amino-N-butyl-N-methyl-1H-indole-2-carboxamide
CID 62058452
6-chloro-N-ethyl-1H-indole-2-carboxamide
CID 47172452
6-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-1H-indole-2-carboxamide
CID 86930386
5-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-indole-2-carboxamide
CID 111542931
6-chloro-N-methyl-N-(1,3-thiazol-2-yl)-1H-indole-2-carboxamide
CID 86768422
N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 43421002
N-butyl-N-methyl-4-oxo-1H-pyridine-2-carboxamide
CID 110855738
(6-chloro-1H-indol-2-yl) octanoate
CID 66912439

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-chloro-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-butyl-6-chloro-N-methyl-1H-indole-2-carboxamide (CID 47169296) is N-butyl-6-chloro-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-butyl-6-chloro-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-butyl-6-chloro-N-methyl-1H-indole-2-carboxamide is CCCCN(C)C(=O)c1cc2ccc(Cl)cc2[nH]1.
What is the InChIKey of N-butyl-6-chloro-N-methyl-1H-indole-2-carboxamide?
The InChIKey is CQWHLCQIZGGWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-3-4-7-17(2)14(18)13-8-10-5-6-11(15)9-12(10)16-13/h5-6,8-9,16H,3-4,7H2,1-2H3.
What are the key properties of N-butyl-6-chloro-N-methyl-1H-indole-2-carboxamide?
N-butyl-6-chloro-N-methyl-1H-indole-2-carboxamide has a molecular weight of 264.76 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-chloro-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 47169296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).