2-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide

C16H17ClN2O — CID 61117260

IUPAC2-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1N
InChIInChI=1S/C16H17ClN2O/c1-19(11-12-5-4-7-14(17)9-12)16(20)10-13-6-2-3-8-15(13)18/h2-9H,10-11,18H2,1H3
InChIKeyYWZJNFKBXMCRJL-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.12
Rot. Bonds4

About 2-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide

2-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide (PubChem CID 61117260) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
PubChem CID61117260
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1N
InChIInChI=1S/C16H17ClN2O/c1-19(11-12-5-4-7-14(17)9-12)16(20)10-13-6-2-3-8-15(13)18/h2-9H,10-11,18H2,1H3
InChIKeyYWZJNFKBXMCRJL-UHFFFAOYSA-N
XLogP3.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 61117245
N-[(3-chlorophenyl)methyl]-3-(2-hydroxyphenyl)-N-methylpropanamide
CID 78790869
N-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 112792374
3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 120609034
2-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 61115894
3-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide
CID 64685066
2-[(2-aminophenyl)methyl-[(3-chlorophenyl)methyl]amino]acetamide
CID 43461381
2-(2-aminophenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 61115408
4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 63309428
2-[2-aminoethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 62688638
4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559058
3-(2-aminophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 43309193

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide (CID 61117260) is 2-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide is CN(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide?
The InChIKey is YWZJNFKBXMCRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-19(11-12-5-4-7-14(17)9-12)16(20)10-13-6-2-3-8-15(13)18/h2-9H,10-11,18H2,1H3.
What are the key properties of 2-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide?
2-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide has a molecular weight of 288.78 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 61117260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).