3-amino-N-[(2-chlorophenyl)methyl]-N,4-dimethylbenzamide

C16H17ClN2O — CID 60937650

IUPAC3-amino-N-[(2-chlorophenyl)methyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)Cc2ccccc2Cl)cc1N
InChIInChI=1S/C16H17ClN2O/c1-11-7-8-12(9-15(11)18)16(20)19(2)10-13-5-3-4-6-14(13)17/h3-9H,10,18H2,1-2H3
InChIKeyKNJVSMWOKDYJGT-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.50
Rot. Bonds3

About 3-amino-N-[(2-chlorophenyl)methyl]-N,4-dimethylbenzamide

3-amino-N-[(2-chlorophenyl)methyl]-N,4-dimethylbenzamide (PubChem CID 60937650) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 3-amino-N-[(2-chlorophenyl)methyl]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-N-[(2-chlorophenyl)methyl]-N,4-dimethylbenzamide
PubChem CID60937650
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name3-amino-N-[(2-chlorophenyl)methyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)Cc2ccccc2Cl)cc1N
InChIInChI=1S/C16H17ClN2O/c1-11-7-8-12(9-15(11)18)16(20)19(2)10-13-5-3-4-6-14(13)17/h3-9H,10,18H2,1-2H3
InChIKeyKNJVSMWOKDYJGT-UHFFFAOYSA-N
XLogP3.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-N-[(2-chlorophenyl)methyl]-N,4-dimethylbenzamide 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-amino-N-[(2,3-dichlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60938036
3-amino-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide
CID 60963333
3-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylbenzamide
CID 61027377
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60938287
3-amino-N-[(3,5-dichlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60946254
3-amino-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 61094065
N-[(2-chlorophenyl)methyl]-4-hydrazinyl-N-methylbenzamide
CID 62242071
3-amino-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 43574048
4-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 81240859
3-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylbenzamide
CID 43574101
3-acetamido-N-[(2-chlorophenyl)methyl]-N-methylbenzamide
CID 7677286
N-[(2-chlorophenyl)methyl]-4-ethoxy-N-methylbenzamide
CID 112790366

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-chlorophenyl)methyl]-N,4-dimethylbenzamide?
The IUPAC name of 3-amino-N-[(2-chlorophenyl)methyl]-N,4-dimethylbenzamide (CID 60937650) is 3-amino-N-[(2-chlorophenyl)methyl]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-amino-N-[(2-chlorophenyl)methyl]-N,4-dimethylbenzamide?
The canonical SMILES for 3-amino-N-[(2-chlorophenyl)methyl]-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)Cc2ccccc2Cl)cc1N.
What is the InChIKey of 3-amino-N-[(2-chlorophenyl)methyl]-N,4-dimethylbenzamide?
The InChIKey is KNJVSMWOKDYJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11-7-8-12(9-15(11)18)16(20)19(2)10-13-5-3-4-6-14(13)17/h3-9H,10,18H2,1-2H3.
What are the key properties of 3-amino-N-[(2-chlorophenyl)methyl]-N,4-dimethylbenzamide?
3-amino-N-[(2-chlorophenyl)methyl]-N,4-dimethylbenzamide has a molecular weight of 288.78 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-chlorophenyl)methyl]-N,4-dimethylbenzamide is sourced from PubChem (CID 60937650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).