3-(4-chloro-3-fluorophenyl)-2-methylbenzamide

C14H11ClFNO — CID 67230127

IUPAC3-(4-chloro-3-fluorophenyl)-2-methylbenzamide
SMILESCc1c(C(N)=O)cccc1-c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H11ClFNO/c1-8-10(3-2-4-11(8)14(17)18)9-5-6-12(15)13(16)7-9/h2-7H,1H3,(H2,17,18)
InChIKeyUARFZYNNURAQPS-UHFFFAOYSA-N
MW263.70 g/mol
LogP3.55
Rot. Bonds2

About 3-(4-chloro-3-fluorophenyl)-2-methylbenzamide

3-(4-chloro-3-fluorophenyl)-2-methylbenzamide (PubChem CID 67230127) has the molecular formula C14H11ClFNO and a molecular weight of 263.70 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-2-methylbenzamide
PubChem CID67230127
Molecular FormulaC14H11ClFNO
Molecular Weight263.70 g/mol
Exact Mass263.05
IUPAC Name3-(4-chloro-3-fluorophenyl)-2-methylbenzamide
SMILESCc1c(C(N)=O)cccc1-c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H11ClFNO/c1-8-10(3-2-4-11(8)14(17)18)9-5-6-12(15)13(16)7-9/h2-7H,1H3,(H2,17,18)
InChIKeyUARFZYNNURAQPS-UHFFFAOYSA-N
XLogP3.55
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-2-methylbenzamide?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-2-methylbenzamide (CID 67230127) is 3-(4-chloro-3-fluorophenyl)-2-methylbenzamide.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-2-methylbenzamide?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-2-methylbenzamide is Cc1c(C(N)=O)cccc1-c1ccc(Cl)c(F)c1.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-2-methylbenzamide?
The InChIKey is UARFZYNNURAQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO/c1-8-10(3-2-4-11(8)14(17)18)9-5-6-12(15)13(16)7-9/h2-7H,1H3,(H2,17,18).
What are the key properties of 3-(4-chloro-3-fluorophenyl)-2-methylbenzamide?
3-(4-chloro-3-fluorophenyl)-2-methylbenzamide has a molecular weight of 263.70 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-2-methylbenzamide is sourced from PubChem (CID 67230127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).