3-[(3-chlorophenyl)methoxy]-2,6-difluorobenzamide

C14H10ClF2NO2 — CID 59402956

IUPAC3-[(3-chlorophenyl)methoxy]-2,6-difluorobenzamide
SMILESNC(=O)c1c(F)ccc(OCc2cccc(Cl)c2)c1F
InChIInChI=1S/C14H10ClF2NO2/c15-9-3-1-2-8(6-9)7-20-11-5-4-10(16)12(13(11)17)14(18)19/h1-6H,7H2,(H2,18,19)
InChIKeyQPJFTLSXPCJEKL-UHFFFAOYSA-N
MW297.69 g/mol
LogP3.30
Rot. Bonds4

About 3-[(3-chlorophenyl)methoxy]-2,6-difluorobenzamide

3-[(3-chlorophenyl)methoxy]-2,6-difluorobenzamide (PubChem CID 59402956) has the molecular formula C14H10ClF2NO2 and a molecular weight of 297.69 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methoxy]-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methoxy]-2,6-difluorobenzamide
PubChem CID59402956
Molecular FormulaC14H10ClF2NO2
Molecular Weight297.69 g/mol
Exact Mass297.04
IUPAC Name3-[(3-chlorophenyl)methoxy]-2,6-difluorobenzamide
SMILESNC(=O)c1c(F)ccc(OCc2cccc(Cl)c2)c1F
InChIInChI=1S/C14H10ClF2NO2/c15-9-3-1-2-8(6-9)7-20-11-5-4-10(16)12(13(11)17)14(18)19/h1-6H,7H2,(H2,18,19)
InChIKeyQPJFTLSXPCJEKL-UHFFFAOYSA-N
XLogP3.30
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.69
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(3-chlorophenyl)methoxy]-2,6-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methoxy]-2,6-difluorobenzamide?
The IUPAC name of 3-[(3-chlorophenyl)methoxy]-2,6-difluorobenzamide (CID 59402956) is 3-[(3-chlorophenyl)methoxy]-2,6-difluorobenzamide.
What is the SMILES notation for 3-[(3-chlorophenyl)methoxy]-2,6-difluorobenzamide?
The canonical SMILES for 3-[(3-chlorophenyl)methoxy]-2,6-difluorobenzamide is NC(=O)c1c(F)ccc(OCc2cccc(Cl)c2)c1F.
What is the InChIKey of 3-[(3-chlorophenyl)methoxy]-2,6-difluorobenzamide?
The InChIKey is QPJFTLSXPCJEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NO2/c15-9-3-1-2-8(6-9)7-20-11-5-4-10(16)12(13(11)17)14(18)19/h1-6H,7H2,(H2,18,19).
What are the key properties of 3-[(3-chlorophenyl)methoxy]-2,6-difluorobenzamide?
3-[(3-chlorophenyl)methoxy]-2,6-difluorobenzamide has a molecular weight of 297.69 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methoxy]-2,6-difluorobenzamide is sourced from PubChem (CID 59402956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).