N-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide

C13H7ClF3NO — CID 30430307

IUPACN-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1ccc(F)c(F)c1
InChIInChI=1S/C13H7ClF3NO/c14-8-2-4-12(11(17)6-8)18-13(19)7-1-3-9(15)10(16)5-7/h1-6H,(H,18,19)
InChIKeyKAJIUNVZUGRSJG-UHFFFAOYSA-N
MW285.65 g/mol
LogP4.01
Rot. Bonds2

About N-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide

N-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide (PubChem CID 30430307) has the molecular formula C13H7ClF3NO and a molecular weight of 285.65 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide
PubChem CID30430307
Molecular FormulaC13H7ClF3NO
Molecular Weight285.65 g/mol
Exact Mass285.02
IUPAC NameN-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1ccc(F)c(F)c1
InChIInChI=1S/C13H7ClF3NO/c14-8-2-4-12(11(17)6-8)18-13(19)7-1-3-9(15)10(16)5-7/h1-6H,(H,18,19)
InChIKeyKAJIUNVZUGRSJG-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-(2-chloro-4-fluorophenyl)-3,4-difluorobenzamide
CID 30431388
N-(4-chloro-2-fluorophenyl)-4-hydrazinylbenzamide
CID 62241320
3,5-diamino-N-(4-chloro-2-fluorophenyl)benzamide
CID 61111533
N-(4-chloro-2-fluorophenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103762635
3-amino-N-(4-chloro-2-fluorophenyl)benzamide
CID 43708013
N-(4-chloro-2-fluorophenyl)-4-nitrobenzamide
CID 4173118
N-(4-chloro-2-fluorophenyl)-3-methoxy-4-methylbenzamide
CID 26690340
4-[(3,4-dichlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190261
N-(4-chloro-2-fluorophenyl)-4-(methylsulfanylmethyl)benzamide
CID 7774576
N-(4-chloro-2-fluorophenyl)-4-ethoxybenzamide
CID 897315
4-bromo-N-(4-chloro-2-iodophenyl)-3-fluorobenzamide
CID 107626139
4-(tert-butylamino)-3-(tert-butylsulfamoyl)-N-(4-chloro-2-fluorophenyl)benzamide
CID 4800517

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide (CID 30430307) is N-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide is O=C(Nc1ccc(Cl)cc1F)c1ccc(F)c(F)c1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide?
The InChIKey is KAJIUNVZUGRSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3NO/c14-8-2-4-12(11(17)6-8)18-13(19)7-1-3-9(15)10(16)5-7/h1-6H,(H,18,19).
What are the key properties of N-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide?
N-(4-chloro-2-fluorophenyl)-3,4-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)-3,4-difluorobenzamide is sourced from PubChem (CID 30430307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).