N-(4-chloro-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide

C13H7ClF4N2O — CID 115681910

IUPACN-(4-chloro-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(Cl)ccn1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C13H7ClF4N2O/c14-7-4-5-19-10(6-7)20-12(21)8-2-1-3-9(11(8)15)13(16,17)18/h1-6H,(H,19,20,21)
InChIKeyBLMDYTDYGVGURF-UHFFFAOYSA-N
MW318.66 g/mol
LogP4.15
Rot. Bonds2

About N-(4-chloro-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide

N-(4-chloro-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 115681910) has the molecular formula C13H7ClF4N2O and a molecular weight of 318.66 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide
PubChem CID115681910
Molecular FormulaC13H7ClF4N2O
Molecular Weight318.66 g/mol
Exact Mass318.02
IUPAC NameN-(4-chloro-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(Cl)ccn1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C13H7ClF4N2O/c14-7-4-5-19-10(6-7)20-12(21)8-2-1-3-9(11(8)15)13(16,17)18/h1-6H,(H,19,20,21)
InChIKeyBLMDYTDYGVGURF-UHFFFAOYSA-N
XLogP4.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.66
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 102674046
N-(4-chloro-2-pyridinyl)-2-fluoropyridine-3-carboxamide
CID 107358819
2-bromo-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide
CID 113456910
5-chloro-N-(4-chloro-2-pyridinyl)-2-fluorobenzamide
CID 113236117
N-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 115626766
2-amino-N-(4-chloro-2-pyridinyl)benzamide
CID 103950182
2-fluoro-N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)benzamide
CID 79885826
2-fluoro-N-(6-methyl-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 79883704
2-fluoro-N-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)benzamide
CID 172774529
4-chloro-N-(4-chloro-2-pyridinyl)-2,5-difluorobenzamide
CID 113342708
3-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 3011465
N-(4-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 115678914

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide (CID 115681910) is N-(4-chloro-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide is O=C(Nc1cc(Cl)ccn1)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide?
The InChIKey is BLMDYTDYGVGURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF4N2O/c14-7-4-5-19-10(6-7)20-12(21)8-2-1-3-9(11(8)15)13(16,17)18/h1-6H,(H,19,20,21).
What are the key properties of N-(4-chloro-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide?
N-(4-chloro-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide has a molecular weight of 318.66 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 115681910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).