5-chloro-2-fluoro-N-pyrimidin-5-yl-4-(trifluoromethyl)benzamide

C12H6ClF4N3O — CID 170632931

IUPAC5-chloro-2-fluoro-N-pyrimidin-5-yl-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cncnc1)c1cc(Cl)c(C(F)(F)F)cc1F
InChIInChI=1S/C12H6ClF4N3O/c13-9-1-7(10(14)2-8(9)12(15,16)17)11(21)20-6-3-18-5-19-4-6/h1-5H,(H,20,21)
InChIKeyICMZBORPXGSEHW-UHFFFAOYSA-N
MW319.65 g/mol
LogP3.54
Rot. Bonds2

About 5-chloro-2-fluoro-N-pyrimidin-5-yl-4-(trifluoromethyl)benzamide

5-chloro-2-fluoro-N-pyrimidin-5-yl-4-(trifluoromethyl)benzamide (PubChem CID 170632931) has the molecular formula C12H6ClF4N3O and a molecular weight of 319.65 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-pyrimidin-5-yl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-pyrimidin-5-yl-4-(trifluoromethyl)benzamide
PubChem CID170632931
Molecular FormulaC12H6ClF4N3O
Molecular Weight319.65 g/mol
Exact Mass319.01
IUPAC Name5-chloro-2-fluoro-N-pyrimidin-5-yl-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cncnc1)c1cc(Cl)c(C(F)(F)F)cc1F
InChIInChI=1S/C12H6ClF4N3O/c13-9-1-7(10(14)2-8(9)12(15,16)17)11(21)20-6-3-18-5-19-4-6/h1-5H,(H,20,21)
InChIKeyICMZBORPXGSEHW-UHFFFAOYSA-N
XLogP3.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.65
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-fluoro-4-(trifluoromethyl)benzamide
CID 168990948
5-chloro-2-fluoro-N-(6-hydroxy-1,6-dihydropyridazin-4-yl)-4-(trifluoromethyl)benzamide
CID 166832156
5-bromo-2-fluoro-N-pyrimidin-5-ylbenzamide
CID 104856789
2-amino-5-chloro-N-pyrimidin-5-ylpyridine-4-carboxamide
CID 107589913
2-chloro-N-pyrimidin-5-ylfuran-3-carboxamide
CID 106812415
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 17168217
2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluorobenzamide
CID 110452028
N-[3-(4-chlorophenyl)sulfinamoyl-4-fluorophenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 156859626
5-[(4-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63153677
4-(3-chloro-2-pyridinyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 11407730
2-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylbenzamide
CID 60615705
2-[2-chloro-4-(trifluoromethoxy)phenoxy]-N-pyrimidin-5-yl-5-(trifluoromethyl)pyridine-3-carboxamide
CID 151579165

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-pyrimidin-5-yl-4-(trifluoromethyl)benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-pyrimidin-5-yl-4-(trifluoromethyl)benzamide (CID 170632931) is 5-chloro-2-fluoro-N-pyrimidin-5-yl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-pyrimidin-5-yl-4-(trifluoromethyl)benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-pyrimidin-5-yl-4-(trifluoromethyl)benzamide is O=C(Nc1cncnc1)c1cc(Cl)c(C(F)(F)F)cc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-pyrimidin-5-yl-4-(trifluoromethyl)benzamide?
The InChIKey is ICMZBORPXGSEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF4N3O/c13-9-1-7(10(14)2-8(9)12(15,16)17)11(21)20-6-3-18-5-19-4-6/h1-5H,(H,20,21).
What are the key properties of 5-chloro-2-fluoro-N-pyrimidin-5-yl-4-(trifluoromethyl)benzamide?
5-chloro-2-fluoro-N-pyrimidin-5-yl-4-(trifluoromethyl)benzamide has a molecular weight of 319.65 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-pyrimidin-5-yl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 170632931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).