4-(chloromethyl)-N-(2-fluoro-5-methylphenyl)benzamide

C15H13ClFNO — CID 43333534

IUPAC4-(chloromethyl)-N-(2-fluoro-5-methylphenyl)benzamide
SMILESCc1ccc(F)c(NC(=O)c2ccc(CCl)cc2)c1
InChIInChI=1S/C15H13ClFNO/c1-10-2-7-13(17)14(8-10)18-15(19)12-5-3-11(9-16)4-6-12/h2-8H,9H2,1H3,(H,18,19)
InChIKeyDCXUDGXUEJOAKS-UHFFFAOYSA-N
MW277.73 g/mol
LogP4.13
Rot. Bonds3

About 4-(chloromethyl)-N-(2-fluoro-5-methylphenyl)benzamide

4-(chloromethyl)-N-(2-fluoro-5-methylphenyl)benzamide (PubChem CID 43333534) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(2-fluoro-5-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-(2-fluoro-5-methylphenyl)benzamide
PubChem CID43333534
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name4-(chloromethyl)-N-(2-fluoro-5-methylphenyl)benzamide
SMILESCc1ccc(F)c(NC(=O)c2ccc(CCl)cc2)c1
InChIInChI=1S/C15H13ClFNO/c1-10-2-7-13(17)14(8-10)18-15(19)12-5-3-11(9-16)4-6-12/h2-8H,9H2,1H3,(H,18,19)
InChIKeyDCXUDGXUEJOAKS-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 54.13
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-fluoro-5-methylphenyl)-4-methylbenzamide
CID 7718843
4-(chloromethyl)-N-(2,5-difluorophenyl)benzamide
CID 43333434
4-(dimethylamino)-N-(2-fluoro-5-methylphenyl)benzamide
CID 78769182
4-(chloromethyl)-N-(3-fluoro-5-methylphenyl)benzamide
CID 79055449
N-(2-fluoro-5-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 28881843
N-(2-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 28825950
3-bromo-5-chloro-N-(2-fluoro-5-methylphenyl)benzamide
CID 107951534
N-(2-fluoro-5-methylphenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 78769430
4-(1,3-dithiolan-2-yl)-N-(2-fluoro-5-methylphenyl)benzamide
CID 26881926
chloromethyl N-(2-fluoro-5-methylphenyl)carbamate
CID 164652670
3-[(2-fluoro-5-methylphenyl)carbamoyl]benzoic acid
CID 43452946
4-(chloromethyl)-N-[4-[[4-(chloromethyl)benzoyl]amino]-3-methylphenyl]benzamide
CID 67251847

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(2-fluoro-5-methylphenyl)benzamide?
The IUPAC name of 4-(chloromethyl)-N-(2-fluoro-5-methylphenyl)benzamide (CID 43333534) is 4-(chloromethyl)-N-(2-fluoro-5-methylphenyl)benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-(2-fluoro-5-methylphenyl)benzamide?
The canonical SMILES for 4-(chloromethyl)-N-(2-fluoro-5-methylphenyl)benzamide is Cc1ccc(F)c(NC(=O)c2ccc(CCl)cc2)c1.
What is the InChIKey of 4-(chloromethyl)-N-(2-fluoro-5-methylphenyl)benzamide?
The InChIKey is DCXUDGXUEJOAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c1-10-2-7-13(17)14(8-10)18-15(19)12-5-3-11(9-16)4-6-12/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 4-(chloromethyl)-N-(2-fluoro-5-methylphenyl)benzamide?
4-(chloromethyl)-N-(2-fluoro-5-methylphenyl)benzamide has a molecular weight of 277.73 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(2-fluoro-5-methylphenyl)benzamide is sourced from PubChem (CID 43333534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).