3-chloro-4-fluoro-N-(3-methoxyphenyl)benzamide

C14H11ClFNO2 — CID 25176084

IUPAC3-chloro-4-fluoro-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C14H11ClFNO2/c1-19-11-4-2-3-10(8-11)17-14(18)9-5-6-13(16)12(15)7-9/h2-8H,1H3,(H,17,18)
InChIKeyOYXWPMCKSHEIHI-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.74
Rot. Bonds3

About 3-chloro-4-fluoro-N-(3-methoxyphenyl)benzamide

3-chloro-4-fluoro-N-(3-methoxyphenyl)benzamide (PubChem CID 25176084) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(3-methoxyphenyl)benzamide
PubChem CID25176084
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Name3-chloro-4-fluoro-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C14H11ClFNO2/c1-19-11-4-2-3-10(8-11)17-14(18)9-5-6-13(16)12(15)7-9/h2-8H,1H3,(H,17,18)
InChIKeyOYXWPMCKSHEIHI-UHFFFAOYSA-N
XLogP3.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(3-methoxyphenyl)benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-(3-methoxyphenyl)benzamide (CID 25176084) is 3-chloro-4-fluoro-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(3-methoxyphenyl)benzamide is COc1cccc(NC(=O)c2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-(3-methoxyphenyl)benzamide?
The InChIKey is OYXWPMCKSHEIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c1-19-11-4-2-3-10(8-11)17-14(18)9-5-6-13(16)12(15)7-9/h2-8H,1H3,(H,17,18).
What are the key properties of 3-chloro-4-fluoro-N-(3-methoxyphenyl)benzamide?
3-chloro-4-fluoro-N-(3-methoxyphenyl)benzamide has a molecular weight of 279.70 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 25176084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).