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

C16H17ClN2O — CID 60683247

IUPAC2-anilino-N-[(2-chlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1Cl)C(=O)CNc1ccccc1
InChIInChI=1S/C16H17ClN2O/c1-19(12-13-7-5-6-10-15(13)17)16(20)11-18-14-8-3-2-4-9-14/h2-10,18H,11-12H2,1H3
InChIKeyXZCPPCFMDNLKDQ-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.41
Rot. Bonds5

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

2-anilino-N-[(2-chlorophenyl)methyl]-N-methylacetamide (PubChem CID 60683247) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-anilino-N-[(2-chlorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-anilino-N-[(2-chlorophenyl)methyl]-N-methylacetamide
PubChem CID60683247
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-anilino-N-[(2-chlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1Cl)C(=O)CNc1ccccc1
InChIInChI=1S/C16H17ClN2O/c1-19(12-13-7-5-6-10-15(13)17)16(20)11-18-14-8-3-2-4-9-14/h2-10,18H,11-12H2,1H3
InChIKeyXZCPPCFMDNLKDQ-UHFFFAOYSA-N
XLogP3.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 60683217
N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 60686804
N-[(2-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60685447
N-[(2-chlorophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60683172
N-[(2-chlorophenyl)methyl]-N-methyl-2-(prop-2-ynylamino)acetamide
CID 78915074
2-anilino-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37229214
N-[(2-bromophenyl)methyl]-2-(2-chloroanilino)-N-methylacetamide
CID 55365341
N-[(2-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605024
2-(2-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 61117245
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
2-[(4-acetamidophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 7677315
N-[(2-chlorophenyl)methyl]-N,2-dimethyl-2-phenylpropanamide
CID 112790320

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(2-chlorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-anilino-N-[(2-chlorophenyl)methyl]-N-methylacetamide (CID 60683247) is 2-anilino-N-[(2-chlorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-anilino-N-[(2-chlorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-anilino-N-[(2-chlorophenyl)methyl]-N-methylacetamide is CN(Cc1ccccc1Cl)C(=O)CNc1ccccc1.
What is the InChIKey of 2-anilino-N-[(2-chlorophenyl)methyl]-N-methylacetamide?
The InChIKey is XZCPPCFMDNLKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-19(12-13-7-5-6-10-15(13)17)16(20)11-18-14-8-3-2-4-9-14/h2-10,18H,11-12H2,1H3.
What are the key properties of 2-anilino-N-[(2-chlorophenyl)methyl]-N-methylacetamide?
2-anilino-N-[(2-chlorophenyl)methyl]-N-methylacetamide has a molecular weight of 288.78 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(2-chlorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 60683247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).