3-chloro-N,2-dimethyl-N-(4-methylphenyl)propanamide

C12H16ClNO — CID 62726677

IUPAC3-chloro-N,2-dimethyl-N-(4-methylphenyl)propanamide
SMILESCc1ccc(N(C)C(=O)C(C)CCl)cc1
InChIInChI=1S/C12H16ClNO/c1-9-4-6-11(7-5-9)14(3)12(15)10(2)8-13/h4-7,10H,8H2,1-3H3
InChIKeyIIYARZVJTVMBGH-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.83
Rot. Bonds3

About 3-chloro-N,2-dimethyl-N-(4-methylphenyl)propanamide

3-chloro-N,2-dimethyl-N-(4-methylphenyl)propanamide (PubChem CID 62726677) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 3-chloro-N,2-dimethyl-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-chloro-N,2-dimethyl-N-(4-methylphenyl)propanamide
PubChem CID62726677
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name3-chloro-N,2-dimethyl-N-(4-methylphenyl)propanamide
SMILESCc1ccc(N(C)C(=O)C(C)CCl)cc1
InChIInChI=1S/C12H16ClNO/c1-9-4-6-11(7-5-9)14(3)12(15)10(2)8-13/h4-7,10H,8H2,1-3H3
InChIKeyIIYARZVJTVMBGH-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-chloro-N,2-dimethyl-N-(4-methylphenyl)propanamide 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-chloro-N,2-dimethyl-N-[(4-methylphenyl)methyl]propanamide
CID 62726574
2-amino-3-hydroxy-N-methyl-N-(4-methylphenyl)propanamide
CID 115179676
methyl 2-[methyl-(4-methylphenyl)carbamoyl]butanoate
CID 115187857
3-hydroxy-N-(4-hydroxyphenyl)-N,2-dimethylpropanamide
CID 134339239
3-amino-N,2-dimethyl-N-(4-phenylphenyl)propanamide
CID 115153554
3,3-dimethyl-2-[methyl-(4-methylphenyl)carbamoyl]butanoic acid
CID 116537045
4-chloro-N-methyl-N-(4-methylphenyl)butanamide
CID 63308688
N-(4-aminophenyl)-N,2-dimethylbutanamide
CID 43114423
N-(4-chlorophenyl)-N,2-dimethyl-5-oxohexanamide
CID 70913590
ethane;N-methyl-N-(4-methylphenyl)acetamide
CID 143974566
2-amino-N-methyl-N-(4-methylphenyl)acetamide
CID 22617441
N,2-dimethyl-4-[(4-methylphenyl)sulfonylamino]-N-phenylbutanamide
CID 10067092

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,2-dimethyl-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-chloro-N,2-dimethyl-N-(4-methylphenyl)propanamide (CID 62726677) is 3-chloro-N,2-dimethyl-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-chloro-N,2-dimethyl-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-chloro-N,2-dimethyl-N-(4-methylphenyl)propanamide is Cc1ccc(N(C)C(=O)C(C)CCl)cc1.
What is the InChIKey of 3-chloro-N,2-dimethyl-N-(4-methylphenyl)propanamide?
The InChIKey is IIYARZVJTVMBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-9-4-6-11(7-5-9)14(3)12(15)10(2)8-13/h4-7,10H,8H2,1-3H3.
What are the key properties of 3-chloro-N,2-dimethyl-N-(4-methylphenyl)propanamide?
3-chloro-N,2-dimethyl-N-(4-methylphenyl)propanamide has a molecular weight of 225.72 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,2-dimethyl-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 62726677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).