3-amino-N-(2-chloro-4-methylphenyl)-2-methylpropanamide

C11H15ClN2O — CID 62670664

IUPAC3-amino-N-(2-chloro-4-methylphenyl)-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)CN)c(Cl)c1
InChIInChI=1S/C11H15ClN2O/c1-7-3-4-10(9(12)5-7)14-11(15)8(2)6-13/h3-5,8H,6,13H2,1-2H3,(H,14,15)
InChIKeyLHIGOSTYTBYECZ-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.18
Rot. Bonds3

About 3-amino-N-(2-chloro-4-methylphenyl)-2-methylpropanamide

3-amino-N-(2-chloro-4-methylphenyl)-2-methylpropanamide (PubChem CID 62670664) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 3-amino-N-(2-chloro-4-methylphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-chloro-4-methylphenyl)-2-methylpropanamide
PubChem CID62670664
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name3-amino-N-(2-chloro-4-methylphenyl)-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)CN)c(Cl)c1
InChIInChI=1S/C11H15ClN2O/c1-7-3-4-10(9(12)5-7)14-11(15)8(2)6-13/h3-5,8H,6,13H2,1-2H3,(H,14,15)
InChIKeyLHIGOSTYTBYECZ-UHFFFAOYSA-N
XLogP2.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-(2-chloro-4-methylphenyl)-2-methylpropanamide 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-(2-chloro-4-methylphenyl)-2-methylpentanamide
CID 67710308
(2R)-2-amino-N-(2-chloro-4-methylphenyl)propanamide;hydrochloride
CID 119262651
(2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide
CID 28881797
(2S)-2-amino-N-(2-chloro-4-methylphenyl)-3-methylbutanamide
CID 28967933
(2R)-2-amino-N-(2-chloro-4-methylphenyl)-3-methylbutanamide
CID 28967931
3-amino-N-(2,4-dibromophenyl)-2-methylpropanamide
CID 62669244
2-chloro-N-[(2-chloro-4-methylphenyl)carbamoyl]propanamide
CID 43146433
3-amino-N-(2,3-dichlorophenyl)-2-methylpropanamide
CID 62669970
2-[(3-amino-2-methylpropanoyl)amino]-5-chlorobenzoic acid
CID 55104752
2-amino-N-(2-chloro-4-methylphenyl)-3-phenylpropanamide
CID 43122671
(2S)-2-[(2-chloro-4-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 61195183
1-(2-chloro-4-methylphenyl)-3-ethylurea
CID 21161481

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chloro-4-methylphenyl)-2-methylpropanamide?
The IUPAC name of 3-amino-N-(2-chloro-4-methylphenyl)-2-methylpropanamide (CID 62670664) is 3-amino-N-(2-chloro-4-methylphenyl)-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-(2-chloro-4-methylphenyl)-2-methylpropanamide?
The canonical SMILES for 3-amino-N-(2-chloro-4-methylphenyl)-2-methylpropanamide is Cc1ccc(NC(=O)C(C)CN)c(Cl)c1.
What is the InChIKey of 3-amino-N-(2-chloro-4-methylphenyl)-2-methylpropanamide?
The InChIKey is LHIGOSTYTBYECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-7-3-4-10(9(12)5-7)14-11(15)8(2)6-13/h3-5,8H,6,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-N-(2-chloro-4-methylphenyl)-2-methylpropanamide?
3-amino-N-(2-chloro-4-methylphenyl)-2-methylpropanamide has a molecular weight of 226.71 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chloro-4-methylphenyl)-2-methylpropanamide is sourced from PubChem (CID 62670664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).