N-benzyl-2-(3-fluoroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide

C19H14F4N4O — CID 10430464

IUPACN-benzyl-2-(3-fluoroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESO=C(NCc1ccccc1)c1cnc(Nc2cccc(F)c2)nc1C(F)(F)F
InChIInChI=1S/C19H14F4N4O/c20-13-7-4-8-14(9-13)26-18-25-11-15(16(27-18)19(21,22)23)17(28)24-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,24,28)(H,25,26,27)
InChIKeyGGNMVLNVEUGZFG-UHFFFAOYSA-N
MW390.34 g/mol
LogP4.31
Rot. Bonds5

About N-benzyl-2-(3-fluoroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide

N-benzyl-2-(3-fluoroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 10430464) has the molecular formula C19H14F4N4O and a molecular weight of 390.34 g/mol. Its IUPAC name is N-benzyl-2-(3-fluoroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(3-fluoroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID10430464
Molecular FormulaC19H14F4N4O
Molecular Weight390.34 g/mol
Exact Mass390.11
IUPAC NameN-benzyl-2-(3-fluoroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESO=C(NCc1ccccc1)c1cnc(Nc2cccc(F)c2)nc1C(F)(F)F
InChIInChI=1S/C19H14F4N4O/c20-13-7-4-8-14(9-13)26-18-25-11-15(16(27-18)19(21,22)23)17(28)24-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,24,28)(H,25,26,27)
InChIKeyGGNMVLNVEUGZFG-UHFFFAOYSA-N
XLogP4.31
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-fluoroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-2-(3-fluoroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide (CID 10430464) is N-benzyl-2-(3-fluoroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-2-(3-fluoroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-2-(3-fluoroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide is O=C(NCc1ccccc1)c1cnc(Nc2cccc(F)c2)nc1C(F)(F)F.
What is the InChIKey of N-benzyl-2-(3-fluoroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is GGNMVLNVEUGZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N4O/c20-13-7-4-8-14(9-13)26-18-25-11-15(16(27-18)19(21,22)23)17(28)24-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,24,28)(H,25,26,27).
What are the key properties of N-benzyl-2-(3-fluoroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide?
N-benzyl-2-(3-fluoroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 390.34 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-fluoroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 10430464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).