N-(2-chloro-6-methylphenyl)-2-cyano-2-ethylbutanamide

C14H17ClN2O — CID 66254759

IUPACN-(2-chloro-6-methylphenyl)-2-cyano-2-ethylbutanamide
SMILESCCC(C#N)(CC)C(=O)Nc1c(C)cccc1Cl
InChIInChI=1S/C14H17ClN2O/c1-4-14(5-2,9-16)13(18)17-12-10(3)7-6-8-11(12)15/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyUDBSVRJEECDNDB-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.92
Rot. Bonds4

About N-(2-chloro-6-methylphenyl)-2-cyano-2-ethylbutanamide

N-(2-chloro-6-methylphenyl)-2-cyano-2-ethylbutanamide (PubChem CID 66254759) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-cyano-2-ethylbutanamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-cyano-2-ethylbutanamide
PubChem CID66254759
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC NameN-(2-chloro-6-methylphenyl)-2-cyano-2-ethylbutanamide
SMILESCCC(C#N)(CC)C(=O)Nc1c(C)cccc1Cl
InChIInChI=1S/C14H17ClN2O/c1-4-14(5-2,9-16)13(18)17-12-10(3)7-6-8-11(12)15/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyUDBSVRJEECDNDB-UHFFFAOYSA-N
XLogP3.92
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-chloro-6-methylphenyl)-2-cyano-2-ethylbutanamide 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

2-cyano-N-(2,6-dichlorophenyl)-2-methylpropanamide
CID 55208118
2-cyano-N-(2,6-dichloro-3-methylphenyl)-2-methylbutanamide
CID 114290912
2-[(2-chloro-6-methylanilino)methyl]-2-ethylbutan-1-ol
CID 81419672
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334
(2R)-2-amino-N-(2-chloro-6-methylphenyl)butanamide
CID 66255891
2-cyano-2-ethyl-N-(3-iodo-4-methylphenyl)butanamide
CID 114257386
N-(2-chloro-6-methylphenyl)-1-cyanocyclopentane-1-carboxamide
CID 66257240
4-tert-butyl-N-(2-chloro-6-methylphenyl)benzamide
CID 721211
[2-(2-chloro-6-methylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylazanium
CID 20801
2-cyano-2-ethyl-N-thiophen-3-ylbutanamide
CID 66353300
2-[[(2S)-butan-2-yl]amino]-N-(2-chloro-6-methylphenyl)acetamide
CID 124514697
2-amino-N-(2-chloro-6-methylphenyl)pentanamide
CID 66254750

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-cyano-2-ethylbutanamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-cyano-2-ethylbutanamide (CID 66254759) is N-(2-chloro-6-methylphenyl)-2-cyano-2-ethylbutanamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-cyano-2-ethylbutanamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-cyano-2-ethylbutanamide is CCC(C#N)(CC)C(=O)Nc1c(C)cccc1Cl.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-cyano-2-ethylbutanamide?
The InChIKey is UDBSVRJEECDNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-4-14(5-2,9-16)13(18)17-12-10(3)7-6-8-11(12)15/h6-8H,4-5H2,1-3H3,(H,17,18).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-cyano-2-ethylbutanamide?
N-(2-chloro-6-methylphenyl)-2-cyano-2-ethylbutanamide has a molecular weight of 264.76 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-cyano-2-ethylbutanamide is sourced from PubChem (CID 66254759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).