N-benzyl-6-chloro-N-propan-2-yl-1H-indole-3-carboxamide

C19H19ClN2O — CID 113206400

IUPACN-benzyl-6-chloro-N-propan-2-yl-1H-indole-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C19H19ClN2O/c1-13(2)22(12-14-6-4-3-5-7-14)19(23)17-11-21-18-10-15(20)8-9-16(17)18/h3-11,13,21H,12H2,1-2H3
InChIKeyHCIVFJXMHAOEBN-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.87
Rot. Bonds4

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

N-benzyl-6-chloro-N-propan-2-yl-1H-indole-3-carboxamide (PubChem CID 113206400) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is N-benzyl-6-chloro-N-propan-2-yl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-chloro-N-propan-2-yl-1H-indole-3-carboxamide
PubChem CID113206400
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC NameN-benzyl-6-chloro-N-propan-2-yl-1H-indole-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C19H19ClN2O/c1-13(2)22(12-14-6-4-3-5-7-14)19(23)17-11-21-18-10-15(20)8-9-16(17)18/h3-11,13,21H,12H2,1-2H3
InChIKeyHCIVFJXMHAOEBN-UHFFFAOYSA-N
XLogP4.87
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-benzyl-6-chloro-N-propan-2-yl-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

3-[1H-indole-3-carbonyl(propan-2-yl)amino]propanoic acid
CID 60830552
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide
CID 113208798
1-(6-chloro-1H-indol-3-yl)-2-(3-chlorophenyl)ethanone
CID 63492171
N-benzyl-2-fluoro-5-methyl-N-propan-2-ylbenzamide
CID 62509539
6-amino-N-(3-hydroxypropyl)-N-propan-2-yl-1H-indole-3-carboxamide
CID 61138342
N-benzyl-2-methyl-N-propan-2-ylbenzamide
CID 562391
N-[(2S)-2-hydroxypropyl]-3-(2-phenylacetyl)-1H-indole-6-carboxamide
CID 139422991
(6-chloro-1H-indol-3-yl)-(4-chlorophenyl)methanone
CID 43163471
3-(6-chloro-1H-indol-3-yl)-3-oxopropanenitrile;propanenitrile
CID 175220156
N-benzyl-4-fluoro-N-propan-2-yl-3-sulfanylbenzamide
CID 107020657
N-butan-2-yl-6-chloro-1H-indole-3-carboxamide
CID 113206344
N-benzyl-5-bromo-2-chloro-N-propan-2-ylpyridine-3-carboxamide
CID 62000992

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-chloro-N-propan-2-yl-1H-indole-3-carboxamide?
The IUPAC name of N-benzyl-6-chloro-N-propan-2-yl-1H-indole-3-carboxamide (CID 113206400) is N-benzyl-6-chloro-N-propan-2-yl-1H-indole-3-carboxamide.
What is the SMILES notation for N-benzyl-6-chloro-N-propan-2-yl-1H-indole-3-carboxamide?
The canonical SMILES for N-benzyl-6-chloro-N-propan-2-yl-1H-indole-3-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of N-benzyl-6-chloro-N-propan-2-yl-1H-indole-3-carboxamide?
The InChIKey is HCIVFJXMHAOEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-13(2)22(12-14-6-4-3-5-7-14)19(23)17-11-21-18-10-15(20)8-9-16(17)18/h3-11,13,21H,12H2,1-2H3.
What are the key properties of N-benzyl-6-chloro-N-propan-2-yl-1H-indole-3-carboxamide?
N-benzyl-6-chloro-N-propan-2-yl-1H-indole-3-carboxamide has a molecular weight of 326.83 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-chloro-N-propan-2-yl-1H-indole-3-carboxamide is sourced from PubChem (CID 113206400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).