2-fluoro-N,4-dimethyl-5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide

C14H12F4N4O — CID 146516153

IUPAC2-fluoro-N,4-dimethyl-5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
SMILESCNC(=O)c1cc(Nc2ncc(C(F)(F)F)cn2)c(C)cc1F
InChIInChI=1S/C14H12F4N4O/c1-7-3-10(15)9(12(23)19-2)4-11(7)22-13-20-5-8(6-21-13)14(16,17)18/h3-6H,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyQMXBOLRWEOWIFY-UHFFFAOYSA-N
MW328.27 g/mol
LogP3.05
Rot. Bonds3

About 2-fluoro-N,4-dimethyl-5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide

2-fluoro-N,4-dimethyl-5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide (PubChem CID 146516153) has the molecular formula C14H12F4N4O and a molecular weight of 328.27 g/mol. Its IUPAC name is 2-fluoro-N,4-dimethyl-5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound Name2-fluoro-N,4-dimethyl-5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
PubChem CID146516153
Molecular FormulaC14H12F4N4O
Molecular Weight328.27 g/mol
Exact Mass328.09
IUPAC Name2-fluoro-N,4-dimethyl-5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
SMILESCNC(=O)c1cc(Nc2ncc(C(F)(F)F)cn2)c(C)cc1F
InChIInChI=1S/C14H12F4N4O/c1-7-3-10(15)9(12(23)19-2)4-11(7)22-13-20-5-8(6-21-13)14(16,17)18/h3-6H,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyQMXBOLRWEOWIFY-UHFFFAOYSA-N
XLogP3.05
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-N,4-dimethyl-5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide 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

2-fluoro-4-methyl-5-[[4-[2-(prop-2-enoylamino)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 90331524
5-[[5-chloro-4-[2-(methanesulfonamido)anilino]pyrimidin-2-yl]amino]-2,4-difluoro-N-methylbenzamide
CID 46947397
2-[2-(5-methoxy-2-methylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]oxy-N-methylbenzamide
CID 118908133
2-N-(5-bromo-4-fluoro-2-methylphenyl)pyrimidine-2,5-diamine
CID 107590931
5-[[5-fluoro-4-[[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]methylamino]pyrimidin-2-yl]amino]-N,2-dimethylbenzamide
CID 122456533
5-amino-4-fluoro-N,2-dimethylbenzamide
CID 130507342
N-methyl-5-(trifluoromethyl)-6-[5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,8-naphthyridin-2-yl]pyridine-2-carboxamide
CID 58645777
4-[[5-(dimethylamino)-4-methylpyrimidin-2-yl]amino]-2-fluoro-5-methylbenzamide
CID 178120166
N-[4-(diethylamino)-2-methylphenyl]-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268447
N-methyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxamide
CID 156549834
N-(2,6-difluorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266523
N-(2,4-dimethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109266385

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,4-dimethyl-5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide?
The IUPAC name of 2-fluoro-N,4-dimethyl-5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide (CID 146516153) is 2-fluoro-N,4-dimethyl-5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for 2-fluoro-N,4-dimethyl-5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for 2-fluoro-N,4-dimethyl-5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide is CNC(=O)c1cc(Nc2ncc(C(F)(F)F)cn2)c(C)cc1F.
What is the InChIKey of 2-fluoro-N,4-dimethyl-5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide?
The InChIKey is QMXBOLRWEOWIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N4O/c1-7-3-10(15)9(12(23)19-2)4-11(7)22-13-20-5-8(6-21-13)14(16,17)18/h3-6H,1-2H3,(H,19,23)(H,20,21,22).
What are the key properties of 2-fluoro-N,4-dimethyl-5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide?
2-fluoro-N,4-dimethyl-5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide has a molecular weight of 328.27 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,4-dimethyl-5-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 146516153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).