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

C16H17ClN2O — CID 61117245

IUPAC2-(2-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1Cl)C(=O)Cc1ccccc1N
InChIInChI=1S/C16H17ClN2O/c1-19(11-13-7-2-4-8-14(13)17)16(20)10-12-6-3-5-9-15(12)18/h2-9H,10-11,18H2,1H3
InChIKeyWESBCCNSNUGLIL-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.12
Rot. Bonds4

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

2-(2-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide (PubChem CID 61117245) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
PubChem CID61117245
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-(2-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1Cl)C(=O)Cc1ccccc1N
InChIInChI=1S/C16H17ClN2O/c1-19(11-13-7-2-4-8-14(13)17)16(20)10-12-6-3-5-9-15(12)18/h2-9H,10-11,18H2,1H3
InChIKeyWESBCCNSNUGLIL-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-hydroxyphenyl)methyl]-N-methylacetamide
CID 61115894
2-(2-aminophenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 61115408
2-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 61117260
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
N-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 43458410
N-[(2-aminophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 43458424
N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 60686804
2-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 55328984
3-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide
CID 61117836
2-(2-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 43527191
2-(2-aminophenyl)-N,N-dimethylacetamide;hydrochloride
CID 141352115
N-[(2-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605024

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(2-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide (CID 61117245) is 2-(2-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide is CN(Cc1ccccc1Cl)C(=O)Cc1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide?
The InChIKey is WESBCCNSNUGLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-19(11-13-7-2-4-8-14(13)17)16(20)10-12-6-3-5-9-15(12)18/h2-9H,10-11,18H2,1H3.
What are the key properties of 2-(2-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide?
2-(2-aminophenyl)-N-[(2-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-[(2-chlorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 61117245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).