2-chloro-N-[(4-fluorophenyl)methyl]-4-methylbenzamide

C15H13ClFNO — CID 885911

IUPAC2-chloro-N-[(4-fluorophenyl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C15H13ClFNO/c1-10-2-7-13(14(16)8-10)15(19)18-9-11-3-5-12(17)6-4-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyJSAZBXDGCQCBAV-UHFFFAOYSA-N
MW277.73 g/mol
LogP3.72
Rot. Bonds3

About 2-chloro-N-[(4-fluorophenyl)methyl]-4-methylbenzamide

2-chloro-N-[(4-fluorophenyl)methyl]-4-methylbenzamide (PubChem CID 885911) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is 2-chloro-N-[(4-fluorophenyl)methyl]-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[(4-fluorophenyl)methyl]-4-methylbenzamide
PubChem CID885911
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name2-chloro-N-[(4-fluorophenyl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C15H13ClFNO/c1-10-2-7-13(14(16)8-10)15(19)18-9-11-3-5-12(17)6-4-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyJSAZBXDGCQCBAV-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-fluorophenyl)methyl]-4-methylbenzamide?
The IUPAC name of 2-chloro-N-[(4-fluorophenyl)methyl]-4-methylbenzamide (CID 885911) is 2-chloro-N-[(4-fluorophenyl)methyl]-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[(4-fluorophenyl)methyl]-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-[(4-fluorophenyl)methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCc2ccc(F)cc2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[(4-fluorophenyl)methyl]-4-methylbenzamide?
The InChIKey is JSAZBXDGCQCBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c1-10-2-7-13(14(16)8-10)15(19)18-9-11-3-5-12(17)6-4-11/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 2-chloro-N-[(4-fluorophenyl)methyl]-4-methylbenzamide?
2-chloro-N-[(4-fluorophenyl)methyl]-4-methylbenzamide has a molecular weight of 277.73 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-fluorophenyl)methyl]-4-methylbenzamide is sourced from PubChem (CID 885911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).