2-[4-(chloromethyl)phenyl]-N-[(4-methylphenyl)methyl]acetamide

C17H18ClNO — CID 59915565

IUPAC2-[4-(chloromethyl)phenyl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cc2ccc(CCl)cc2)cc1
InChIInChI=1S/C17H18ClNO/c1-13-2-4-16(5-3-13)12-19-17(20)10-14-6-8-15(11-18)9-7-14/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyKPUDKOALWWPJNX-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.59
Rot. Bonds5

About 2-[4-(chloromethyl)phenyl]-N-[(4-methylphenyl)methyl]acetamide

2-[4-(chloromethyl)phenyl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 59915565) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-[4-(chloromethyl)phenyl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(chloromethyl)phenyl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID59915565
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name2-[4-(chloromethyl)phenyl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cc2ccc(CCl)cc2)cc1
InChIInChI=1S/C17H18ClNO/c1-13-2-4-16(5-3-13)12-19-17(20)10-14-6-8-15(11-18)9-7-14/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyKPUDKOALWWPJNX-UHFFFAOYSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 60917944
2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 62403486
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
N-[(4-carbamothioylphenyl)methyl]-2-(4-methylphenyl)acetamide
CID 62309630
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 43320104
N-(5-chloropentyl)-2-(4-methylphenyl)acetamide
CID 107320841
N-[(4-methylphenyl)methyl]butanamide
CID 835678
N-[[4-(chloromethyl)phenyl]methyl]-2,4-dimethylbenzamide
CID 107233380
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
N-[[4-(chloromethyl)phenyl]methyl]-2-fluoro-4-methylbenzamide
CID 107233356
N-[(4-methylphenyl)methyl]but-3-ynamide
CID 164657026

Frequently Asked Questions

What is the IUPAC name of 2-[4-(chloromethyl)phenyl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(chloromethyl)phenyl]-N-[(4-methylphenyl)methyl]acetamide (CID 59915565) is 2-[4-(chloromethyl)phenyl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(chloromethyl)phenyl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(chloromethyl)phenyl]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)Cc2ccc(CCl)cc2)cc1.
What is the InChIKey of 2-[4-(chloromethyl)phenyl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is KPUDKOALWWPJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-13-2-4-16(5-3-13)12-19-17(20)10-14-6-8-15(11-18)9-7-14/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of 2-[4-(chloromethyl)phenyl]-N-[(4-methylphenyl)methyl]acetamide?
2-[4-(chloromethyl)phenyl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 287.79 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(chloromethyl)phenyl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 59915565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).