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

C14H11ClFNO — CID 896129

IUPACN-(4-chloro-2-fluorophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(Cl)cc2F)c1
InChIInChI=1S/C14H11ClFNO/c1-9-3-2-4-10(7-9)14(18)17-13-6-5-11(15)8-12(13)16/h2-8H,1H3,(H,17,18)
InChIKeyJMBPMDPPDVXPLQ-UHFFFAOYSA-N
MW263.70 g/mol
LogP4.04
Rot. Bonds2

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

N-(4-chloro-2-fluorophenyl)-3-methylbenzamide (PubChem CID 896129) has the molecular formula C14H11ClFNO and a molecular weight of 263.70 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-3-methylbenzamide
PubChem CID896129
Molecular FormulaC14H11ClFNO
Molecular Weight263.70 g/mol
Exact Mass263.05
IUPAC NameN-(4-chloro-2-fluorophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(Cl)cc2F)c1
InChIInChI=1S/C14H11ClFNO/c1-9-3-2-4-10(7-9)14(18)17-13-6-5-11(15)8-12(13)16/h2-8H,1H3,(H,17,18)
InChIKeyJMBPMDPPDVXPLQ-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-3-methylbenzamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-3-methylbenzamide (CID 896129) is N-(4-chloro-2-fluorophenyl)-3-methylbenzamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-3-methylbenzamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(Cl)cc2F)c1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-3-methylbenzamide?
The InChIKey is JMBPMDPPDVXPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO/c1-9-3-2-4-10(7-9)14(18)17-13-6-5-11(15)8-12(13)16/h2-8H,1H3,(H,17,18).
What are the key properties of N-(4-chloro-2-fluorophenyl)-3-methylbenzamide?
N-(4-chloro-2-fluorophenyl)-3-methylbenzamide has a molecular weight of 263.70 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-3-methylbenzamide is sourced from PubChem (CID 896129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).