N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide

C13H7ClF3NO — CID 2572466

IUPACN-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1ccc(F)cc1F
InChIInChI=1S/C13H7ClF3NO/c14-7-1-4-12(11(17)5-7)18-13(19)9-3-2-8(15)6-10(9)16/h1-6H,(H,18,19)
InChIKeyXLBVRRCECOKQAA-UHFFFAOYSA-N
MW285.65 g/mol
LogP4.01
Rot. Bonds2

About N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide

N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide (PubChem CID 2572466) has the molecular formula C13H7ClF3NO and a molecular weight of 285.65 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide
PubChem CID2572466
Molecular FormulaC13H7ClF3NO
Molecular Weight285.65 g/mol
Exact Mass285.02
IUPAC NameN-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1ccc(F)cc1F
InChIInChI=1S/C13H7ClF3NO/c14-7-1-4-12(11(17)5-7)18-13(19)9-3-2-8(15)6-10(9)16/h1-6H,(H,18,19)
InChIKeyXLBVRRCECOKQAA-UHFFFAOYSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.65
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(5-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 7899666
N-(2,4-difluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 103941207
2-amino-5-chloro-N-(2,4-difluorophenyl)benzamide
CID 16796170
N-(2-chloro-4-hydroxyphenyl)-2,4-difluorobenzamide
CID 64786772
N-(2-bromo-4-chlorophenyl)-4-chloro-2-fluorobenzamide
CID 81027870
4-chloro-2-fluoro-N-(4-fluorophenyl)benzamide
CID 26687726
5-chloro-N-(2,4-difluorophenyl)-2-(ethylamino)benzamide
CID 62166930
1-N,2-N-bis(2,4-difluorophenyl)benzene-1,2-dicarboxamide
CID 4062467
5-amino-N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 61112671
5-chloro-N-(2,4-difluorophenyl)-1H-indole-3-carboxamide
CID 113205928
2-chloro-N-(2,4-difluorophenyl)furan-3-carboxamide
CID 106685284
N-(4-chloro-2-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 55083427

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide (CID 2572466) is N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide is O=C(Nc1ccc(Cl)cc1F)c1ccc(F)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide?
The InChIKey is XLBVRRCECOKQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3NO/c14-7-1-4-12(11(17)5-7)18-13(19)9-3-2-8(15)6-10(9)16/h1-6H,(H,18,19).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide?
N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide has a molecular weight of 285.65 g/mol, XLogP of 4.01, 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)-2,4-difluorobenzamide is sourced from PubChem (CID 2572466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).