N-[2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-methylbenzamide

C18H12F4N4O — CID 138496142

IUPACN-[2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cnc(-c3cncc(F)c3)nc2C(F)(F)F)cc1
InChIInChI=1S/C18H12F4N4O/c1-10-2-4-11(5-3-10)17(27)25-14-9-24-16(26-15(14)18(20,21)22)12-6-13(19)8-23-7-12/h2-9H,1H3,(H,25,27)
InChIKeyQMDPLBAOONSPML-UHFFFAOYSA-N
MW376.31 g/mol
LogP4.26
Rot. Bonds3

About N-[2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-methylbenzamide

N-[2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-methylbenzamide (PubChem CID 138496142) has the molecular formula C18H12F4N4O and a molecular weight of 376.31 g/mol. Its IUPAC name is N-[2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-methylbenzamide
PubChem CID138496142
Molecular FormulaC18H12F4N4O
Molecular Weight376.31 g/mol
Exact Mass376.09
IUPAC NameN-[2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cnc(-c3cncc(F)c3)nc2C(F)(F)F)cc1
InChIInChI=1S/C18H12F4N4O/c1-10-2-4-11(5-3-10)17(27)25-14-9-24-16(26-15(14)18(20,21)22)12-6-13(19)8-23-7-12/h2-9H,1H3,(H,25,27)
InChIKeyQMDPLBAOONSPML-UHFFFAOYSA-N
XLogP4.26
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.31
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbamate;tert-butyl N-[2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]carbamate
CID 159776807
N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]benzamide
CID 130472965
N-methyl-2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine
CID 138499882
N-(4,4-difluoropent-1-en-2-yl)-2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-amine
CID 138496101
4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174184894
tert-butyl N-[2-pyrimidin-5-yl-4-(trifluoromethyl)pyrimidin-5-yl]carbamate
CID 138502896
(E)-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]but-2-enamide
CID 130472969
2-chloro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130473225
3,3,3-trifluoro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide
CID 130473001
N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-phenoxyacetamide
CID 130473217
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-5-fluoropyridine-3-carboxamide
CID 104786328
N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 7718843

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-methylbenzamide?
The IUPAC name of N-[2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-methylbenzamide (CID 138496142) is N-[2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-methylbenzamide?
The canonical SMILES for N-[2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cnc(-c3cncc(F)c3)nc2C(F)(F)F)cc1.
What is the InChIKey of N-[2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-methylbenzamide?
The InChIKey is QMDPLBAOONSPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N4O/c1-10-2-4-11(5-3-10)17(27)25-14-9-24-16(26-15(14)18(20,21)22)12-6-13(19)8-23-7-12/h2-9H,1H3,(H,25,27).
What are the key properties of N-[2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-methylbenzamide?
N-[2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-methylbenzamide has a molecular weight of 376.31 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-methylbenzamide is sourced from PubChem (CID 138496142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).