N-(3-ethyl-4-fluorophenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide

C14H11F4N3O — CID 136542110

IUPACN-(3-ethyl-4-fluorophenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCCc1cc(NC(=O)c2cnc(C(F)(F)F)nc2)ccc1F
InChIInChI=1S/C14H11F4N3O/c1-2-8-5-10(3-4-11(8)15)21-12(22)9-6-19-13(20-7-9)14(16,17)18/h3-7H,2H2,1H3,(H,21,22)
InChIKeyFGRMORMUUVNWRR-UHFFFAOYSA-N
MW313.25 g/mol
LogP3.45
Rot. Bonds3

About N-(3-ethyl-4-fluorophenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide

N-(3-ethyl-4-fluorophenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 136542110) has the molecular formula C14H11F4N3O and a molecular weight of 313.25 g/mol. Its IUPAC name is N-(3-ethyl-4-fluorophenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-4-fluorophenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID136542110
Molecular FormulaC14H11F4N3O
Molecular Weight313.25 g/mol
Exact Mass313.08
IUPAC NameN-(3-ethyl-4-fluorophenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCCc1cc(NC(=O)c2cnc(C(F)(F)F)nc2)ccc1F
InChIInChI=1S/C14H11F4N3O/c1-2-8-5-10(3-4-11(8)15)21-12(22)9-6-19-13(20-7-9)14(16,17)18/h3-7H,2H2,1H3,(H,21,22)
InChIKeyFGRMORMUUVNWRR-UHFFFAOYSA-N
XLogP3.45
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-ethyl-4-fluorophenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-difluorophenyl)-2-(dimethylamino)pyrimidine-5-carboxamide
CID 53007857
4-bromo-N-(4-bromo-3-ethylphenyl)-3-fluorobenzamide;ethane
CID 165118072
5-chloro-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide
CID 90238140
6-bromo-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 66462669
6-bromo-N-(3-bromo-4-fluorophenyl)pyridine-3-carboxamide
CID 115669904
N-(3,4-difluorophenyl)-6-(4-ethylanilino)pyridine-3-carboxamide
CID 109162873
5-bromo-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide
CID 90238784
2-(butan-2-ylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109249147
N-(3,4-difluorophenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109267710
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diethylamino)pyrimidine-5-carboxamide
CID 109262564
N-(3,4-difluorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62166701
N-[4-[(3-fluoroazetidin-2-yl)methyl]phenyl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 145023084

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-4-fluorophenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-ethyl-4-fluorophenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide (CID 136542110) is N-(3-ethyl-4-fluorophenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-ethyl-4-fluorophenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-ethyl-4-fluorophenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide is CCc1cc(NC(=O)c2cnc(C(F)(F)F)nc2)ccc1F.
What is the InChIKey of N-(3-ethyl-4-fluorophenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is FGRMORMUUVNWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4N3O/c1-2-8-5-10(3-4-11(8)15)21-12(22)9-6-19-13(20-7-9)14(16,17)18/h3-7H,2H2,1H3,(H,21,22).
What are the key properties of N-(3-ethyl-4-fluorophenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide?
N-(3-ethyl-4-fluorophenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 313.25 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-4-fluorophenyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 136542110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).