N-(2-chloro-4,6-difluorophenyl)-2,3-difluorobenzamide

C13H6ClF4NO — CID 82890016

IUPACN-(2-chloro-4,6-difluorophenyl)-2,3-difluorobenzamide
SMILESO=C(Nc1c(F)cc(F)cc1Cl)c1cccc(F)c1F
InChIInChI=1S/C13H6ClF4NO/c14-8-4-6(15)5-10(17)12(8)19-13(20)7-2-1-3-9(16)11(7)18/h1-5H,(H,19,20)
InChIKeyRNTMAVQEHWOEPM-UHFFFAOYSA-N
MW303.64 g/mol
LogP4.15
Rot. Bonds2

About N-(2-chloro-4,6-difluorophenyl)-2,3-difluorobenzamide

N-(2-chloro-4,6-difluorophenyl)-2,3-difluorobenzamide (PubChem CID 82890016) has the molecular formula C13H6ClF4NO and a molecular weight of 303.64 g/mol. Its IUPAC name is N-(2-chloro-4,6-difluorophenyl)-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-difluorophenyl)-2,3-difluorobenzamide
PubChem CID82890016
Molecular FormulaC13H6ClF4NO
Molecular Weight303.64 g/mol
Exact Mass303.01
IUPAC NameN-(2-chloro-4,6-difluorophenyl)-2,3-difluorobenzamide
SMILESO=C(Nc1c(F)cc(F)cc1Cl)c1cccc(F)c1F
InChIInChI=1S/C13H6ClF4NO/c14-8-4-6(15)5-10(17)12(8)19-13(20)7-2-1-3-9(16)11(7)18/h1-5H,(H,19,20)
InChIKeyRNTMAVQEHWOEPM-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.64
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-2-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 115930652
2-amino-N-(2-chloro-4,6-difluorophenyl)-3-methylbenzamide
CID 83081775
3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzamide
CID 107470673
5-amino-2-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 83080978
N-(4-bromo-2,6-difluorophenyl)-2,3-difluorobenzamide
CID 65469148
2-bromo-N-(2-chloro-4,6-difluorophenyl)-5-methylbenzamide
CID 82889504
3-bromo-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 82889682
2-[(2,6-dichloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 83078029
3-amino-2-chloro-N-(2,6-dichloro-4-fluorophenyl)benzamide
CID 115930651
5-amino-N-(2-chloro-4,6-difluorophenyl)-2,4-difluorobenzamide
CID 83074413
N-(2-chloro-4,6-difluorophenyl)-2-fluoro-4-methoxybenzamide
CID 103878387
N-(3,5-dichlorophenyl)-2,3-difluorobenzamide
CID 62650988

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-difluorophenyl)-2,3-difluorobenzamide?
The IUPAC name of N-(2-chloro-4,6-difluorophenyl)-2,3-difluorobenzamide (CID 82890016) is N-(2-chloro-4,6-difluorophenyl)-2,3-difluorobenzamide.
What is the SMILES notation for N-(2-chloro-4,6-difluorophenyl)-2,3-difluorobenzamide?
The canonical SMILES for N-(2-chloro-4,6-difluorophenyl)-2,3-difluorobenzamide is O=C(Nc1c(F)cc(F)cc1Cl)c1cccc(F)c1F.
What is the InChIKey of N-(2-chloro-4,6-difluorophenyl)-2,3-difluorobenzamide?
The InChIKey is RNTMAVQEHWOEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF4NO/c14-8-4-6(15)5-10(17)12(8)19-13(20)7-2-1-3-9(16)11(7)18/h1-5H,(H,19,20).
What are the key properties of N-(2-chloro-4,6-difluorophenyl)-2,3-difluorobenzamide?
N-(2-chloro-4,6-difluorophenyl)-2,3-difluorobenzamide has a molecular weight of 303.64 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-difluorophenyl)-2,3-difluorobenzamide is sourced from PubChem (CID 82890016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).