N-[2-(chloromethyl)phenyl]-3-methylbenzamide

C15H14ClNO — CID 113271945

IUPACN-[2-(chloromethyl)phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccccc2CCl)c1
InChIInChI=1S/C15H14ClNO/c1-11-5-4-7-12(9-11)15(18)17-14-8-3-2-6-13(14)10-16/h2-9H,10H2,1H3,(H,17,18)
InChIKeyAQTRHUWJRMFBOW-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.99
Rot. Bonds3

About N-[2-(chloromethyl)phenyl]-3-methylbenzamide

N-[2-(chloromethyl)phenyl]-3-methylbenzamide (PubChem CID 113271945) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is N-[2-(chloromethyl)phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)phenyl]-3-methylbenzamide
PubChem CID113271945
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC NameN-[2-(chloromethyl)phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccccc2CCl)c1
InChIInChI=1S/C15H14ClNO/c1-11-5-4-7-12(9-11)15(18)17-14-8-3-2-6-13(14)10-16/h2-9H,10H2,1H3,(H,17,18)
InChIKeyAQTRHUWJRMFBOW-UHFFFAOYSA-N
XLogP3.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.99
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-[2-(chloromethyl)phenyl]-3,5-dimethylbenzamide
CID 114298542
N-(2-chlorophenyl)-3-methylbenzamide
CID 675649
N-[2-(chloromethyl)phenyl]naphthalene-2-carboxamide
CID 114298463
3-(chloromethyl)-N-[2-(ethoxymethyl)phenyl]benzamide
CID 43695560
N-[2-(chloromethyl)phenyl]-3-(difluoromethoxy)benzamide
CID 114298284
2-bromo-N-[2-(chloromethyl)phenyl]-5-methylbenzamide
CID 114298590
N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylbenzamide
CID 8699091
benzyl 2-[(3-methylbenzoyl)amino]benzoate
CID 956272
4-tert-butyl-N-[2-(chloromethyl)phenyl]benzamide
CID 114298246
N-[2-(chloromethyl)phenyl]-3,5-dimethoxybenzamide
CID 114298485
N-(3-iodo-2-methylphenyl)-3-methylbenzamide
CID 113368760
N-[(2-chlorophenyl)methyl]-N-methyl-2-[(3-methylbenzoyl)amino]benzamide
CID 112790282

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)phenyl]-3-methylbenzamide?
The IUPAC name of N-[2-(chloromethyl)phenyl]-3-methylbenzamide (CID 113271945) is N-[2-(chloromethyl)phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(chloromethyl)phenyl]-3-methylbenzamide?
The canonical SMILES for N-[2-(chloromethyl)phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccccc2CCl)c1.
What is the InChIKey of N-[2-(chloromethyl)phenyl]-3-methylbenzamide?
The InChIKey is AQTRHUWJRMFBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c1-11-5-4-7-12(9-11)15(18)17-14-8-3-2-6-13(14)10-16/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of N-[2-(chloromethyl)phenyl]-3-methylbenzamide?
N-[2-(chloromethyl)phenyl]-3-methylbenzamide has a molecular weight of 259.74 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)phenyl]-3-methylbenzamide is sourced from PubChem (CID 113271945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).