2-chloro-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide

C16H15Cl2NO — CID 39443934

IUPAC2-chloro-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(N(Cc2cccc(Cl)c2)C(=O)CCl)cc1
InChIInChI=1S/C16H15Cl2NO/c1-12-5-7-15(8-6-12)19(16(20)10-17)11-13-3-2-4-14(18)9-13/h2-9H,10-11H2,1H3
InChIKeyKXBWAZAYZQKGEI-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.42
Rot. Bonds4

About 2-chloro-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide

2-chloro-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide (PubChem CID 39443934) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is 2-chloro-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide
PubChem CID39443934
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name2-chloro-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(N(Cc2cccc(Cl)c2)C(=O)CCl)cc1
InChIInChI=1S/C16H15Cl2NO/c1-12-5-7-15(8-6-12)19(16(20)10-17)11-13-3-2-4-14(18)9-13/h2-9H,10-11H2,1H3
InChIKeyKXBWAZAYZQKGEI-UHFFFAOYSA-N
XLogP4.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 39443965
2-chloro-N-(2,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 39425790
2-chloro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)acetamide
CID 86145134
2-chloro-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide
CID 39372981
N-benzyl-2-chloro-N-(4-chloro-2-methylphenyl)acetamide
CID 39443973
2-chloro-N-(2,3-dimethylphenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 39425799
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3,4-dimethylphenyl)-N-methylacetamide
CID 100793562
N-[(3-chlorophenyl)methyl]-N-(3,5-dimethylphenyl)-4-methylbenzenesulfonamide
CID 3887779
2-(N-acetyl-3-chloroanilino)-N-benzyl-N-phenylacetamide
CID 113171437
N-(4-methylphenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 139238463
N-[(3-chlorophenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 9440257
N-[(3-chlorophenyl)methyl]-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide
CID 3636771

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-chloro-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide (CID 39443934) is 2-chloro-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide is Cc1ccc(N(Cc2cccc(Cl)c2)C(=O)CCl)cc1.
What is the InChIKey of 2-chloro-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide?
The InChIKey is KXBWAZAYZQKGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c1-12-5-7-15(8-6-12)19(16(20)10-17)11-13-3-2-4-14(18)9-13/h2-9H,10-11H2,1H3.
What are the key properties of 2-chloro-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide?
2-chloro-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide has a molecular weight of 308.21 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 39443934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).