N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide

C18H12F4N4O — CID 109270045

IUPACN-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cnc(Nc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C18H12F4N4O/c19-13-2-1-3-15(8-13)25-16(27)11-9-23-17(24-10-11)26-14-6-4-12(5-7-14)18(20,21)22/h1-10H,(H,25,27)(H,23,24,26)
InChIKeyOPMRJHXHFBVRCG-UHFFFAOYSA-N
MW376.31 g/mol
LogP4.63
Rot. Bonds4

About N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide

N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide (PubChem CID 109270045) has the molecular formula C18H12F4N4O and a molecular weight of 376.31 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
PubChem CID109270045
Molecular FormulaC18H12F4N4O
Molecular Weight376.31 g/mol
Exact Mass376.09
IUPAC NameN-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cnc(Nc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C18H12F4N4O/c19-13-2-1-3-15(8-13)25-16(27)11-9-23-17(24-10-11)26-14-6-4-12(5-7-14)18(20,21)22/h1-10H,(H,25,27)(H,23,24,26)
InChIKeyOPMRJHXHFBVRCG-UHFFFAOYSA-N
XLogP4.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.31
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109268903
N-(4-fluorophenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109268482
2-(4-chloroanilino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109268891
N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109178460
2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265542
2-(3-chloro-4-fluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109269249
N-(3-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109270326
N-(4-ethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide
CID 109267473
2-(2,4-difluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109270367
N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide
CID 109266885
2-(4-fluoroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109268538
N-(4-cyanophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109270050

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide (CID 109270045) is N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide is O=C(Nc1cccc(F)c1)c1cnc(Nc2ccc(C(F)(F)F)cc2)nc1.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The InChIKey is OPMRJHXHFBVRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N4O/c19-13-2-1-3-15(8-13)25-16(27)11-9-23-17(24-10-11)26-14-6-4-12(5-7-14)18(20,21)22/h1-10H,(H,25,27)(H,23,24,26).
What are the key properties of N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide has a molecular weight of 376.31 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109270045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).