N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide

C17H18ClNO — CID 2679540

IUPACN-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCc2ccccc2Cl)cc1C
InChIInChI=1S/C17H18ClNO/c1-12-7-8-14(9-13(12)2)10-17(20)19-11-15-5-3-4-6-16(15)18/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeyQZKKHLQMPSXZMH-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.82
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide

N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide (PubChem CID 2679540) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
PubChem CID2679540
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCc2ccccc2Cl)cc1C
InChIInChI=1S/C17H18ClNO/c1-12-7-8-14(9-13(12)2)10-17(20)19-11-15-5-3-4-6-16(15)18/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeyQZKKHLQMPSXZMH-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chlorophenyl)methyl]-N'-(3,4-dimethylphenyl)propanediamide
CID 108946594
N-[3-(2-chlorophenyl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 100717544
1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)urea
CID 47192222
N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019248
N-[(2-chlorophenyl)methyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978021
ethyl 3-[(2-chlorophenyl)methylamino]-3-oxopropanoate
CID 23404876
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601
N-[[2-[2-[(3,4-dimethylphenyl)methylamino]-2-oxoethyl]phenyl]methyl]prop-2-enamide
CID 167791724
N-[(2-chlorophenyl)methyl]-4-[(3,4-dimethylphenyl)sulfonylamino]butanamide
CID 9165246
N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide
CID 108945203
2-(3-chloro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110767041
2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9242490

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide (CID 2679540) is N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)NCc2ccccc2Cl)cc1C.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide?
The InChIKey is QZKKHLQMPSXZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-12-7-8-14(9-13(12)2)10-17(20)19-11-15-5-3-4-6-16(15)18/h3-9H,10-11H2,1-2H3,(H,19,20).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide?
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide has a molecular weight of 287.79 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 2679540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).