N-[2-(chloromethyl)phenyl]-3,5-dimethylbenzamide

C16H16ClNO — CID 114298542

IUPACN-[2-(chloromethyl)phenyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccccc2CCl)c1
InChIInChI=1S/C16H16ClNO/c1-11-7-12(2)9-14(8-11)16(19)18-15-6-4-3-5-13(15)10-17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyISSNZPINJFDXDR-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.29
Rot. Bonds3

About N-[2-(chloromethyl)phenyl]-3,5-dimethylbenzamide

N-[2-(chloromethyl)phenyl]-3,5-dimethylbenzamide (PubChem CID 114298542) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is N-[2-(chloromethyl)phenyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)phenyl]-3,5-dimethylbenzamide
PubChem CID114298542
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC NameN-[2-(chloromethyl)phenyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccccc2CCl)c1
InChIInChI=1S/C16H16ClNO/c1-11-7-12(2)9-14(8-11)16(19)18-15-6-4-3-5-13(15)10-17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyISSNZPINJFDXDR-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.29
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-methylbenzamide
CID 113271945
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide
CID 43601336
N-[2-(chloromethyl)phenyl]-3,5-dimethoxybenzamide
CID 114298485
4-tert-butyl-N-[2-(chloromethyl)phenyl]benzamide
CID 114298246
N-[2-(chloromethyl)phenyl]naphthalene-2-carboxamide
CID 114298463
N-(2-iodophenyl)-3,5-dimethylbenzamide
CID 2118558
N-[2-(aminomethyl)phenyl]-3-bromo-5-methylbenzamide
CID 115999651
2-bromo-N-[2-(chloromethyl)phenyl]-5-methylbenzamide
CID 114298590
2-[(3,5-dimethylbenzoyl)amino]benzoic acid
CID 16771715
2,6-dichloro-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 26208762
2-chloro-N-(2-ethylphenyl)-6-methylpyridine-4-carboxamide
CID 113378289
3-chloro-N-[2-(chloromethyl)phenyl]-5-nitrobenzamide
CID 114298509

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)phenyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-(chloromethyl)phenyl]-3,5-dimethylbenzamide (CID 114298542) is N-[2-(chloromethyl)phenyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-(chloromethyl)phenyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-(chloromethyl)phenyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)Nc2ccccc2CCl)c1.
What is the InChIKey of N-[2-(chloromethyl)phenyl]-3,5-dimethylbenzamide?
The InChIKey is ISSNZPINJFDXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-11-7-12(2)9-14(8-11)16(19)18-15-6-4-3-5-13(15)10-17/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(chloromethyl)phenyl]-3,5-dimethylbenzamide?
N-[2-(chloromethyl)phenyl]-3,5-dimethylbenzamide has a molecular weight of 273.76 g/mol, XLogP of 4.29, 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]-3,5-dimethylbenzamide is sourced from PubChem (CID 114298542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).