N-butan-2-yl-6-chloro-1H-indole-3-carboxamide

C13H15ClN2O — CID 113206344

IUPACN-butan-2-yl-6-chloro-1H-indole-3-carboxamide
SMILESCCC(C)NC(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C13H15ClN2O/c1-3-8(2)16-13(17)11-7-15-12-6-9(14)4-5-10(11)12/h4-8,15H,3H2,1-2H3,(H,16,17)
InChIKeyFMIDLNDRIZTJCT-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.35
Rot. Bonds3

About N-butan-2-yl-6-chloro-1H-indole-3-carboxamide

N-butan-2-yl-6-chloro-1H-indole-3-carboxamide (PubChem CID 113206344) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is N-butan-2-yl-6-chloro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-chloro-1H-indole-3-carboxamide
PubChem CID113206344
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC NameN-butan-2-yl-6-chloro-1H-indole-3-carboxamide
SMILESCCC(C)NC(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C13H15ClN2O/c1-3-8(2)16-13(17)11-7-15-12-6-9(14)4-5-10(11)12/h4-8,15H,3H2,1-2H3,(H,16,17)
InChIKeyFMIDLNDRIZTJCT-UHFFFAOYSA-N
XLogP3.35
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-butan-2-yl-6-chloro-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

ethyl 2-[(6-chloro-1H-indole-3-carbonyl)amino]propanoate
CID 75976916
N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203
5-chloro-N-propan-2-yl-1H-indole-3-carboxamide
CID 69197000
N-butan-2-yl-5-chloro-2-oxo-1H-pyridine-3-carboxamide
CID 110848497
6-amino-N-(2-methylpentan-3-yl)-1H-indole-3-carboxamide
CID 61469066
6-chloro-N-(4-ethoxyphenyl)-1H-indole-3-carboxamide
CID 113206447
N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide
CID 848311
6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-1H-indole-3-carboxamide
CID 113206502
6-chloro-1H-indole-3-carboxamide
CID 130666489
CID 170645729
CID 170645729
1-(6-chloro-1H-indol-3-yl)heptan-1-one
CID 114752147
1-(6-chloro-1H-indol-3-yl)octan-1-one
CID 43341995

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-chloro-1H-indole-3-carboxamide?
The IUPAC name of N-butan-2-yl-6-chloro-1H-indole-3-carboxamide (CID 113206344) is N-butan-2-yl-6-chloro-1H-indole-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-chloro-1H-indole-3-carboxamide?
The canonical SMILES for N-butan-2-yl-6-chloro-1H-indole-3-carboxamide is CCC(C)NC(=O)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of N-butan-2-yl-6-chloro-1H-indole-3-carboxamide?
The InChIKey is FMIDLNDRIZTJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-3-8(2)16-13(17)11-7-15-12-6-9(14)4-5-10(11)12/h4-8,15H,3H2,1-2H3,(H,16,17).
What are the key properties of N-butan-2-yl-6-chloro-1H-indole-3-carboxamide?
N-butan-2-yl-6-chloro-1H-indole-3-carboxamide has a molecular weight of 250.73 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-chloro-1H-indole-3-carboxamide is sourced from PubChem (CID 113206344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).