2-(2,4-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide

C18H11F5N4O — CID 109270001

IUPAC2-(2,4-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cnc(Nc2ccc(F)cc2F)nc1
InChIInChI=1S/C18H11F5N4O/c19-11-5-6-15(13(20)7-11)27-17-24-8-10(9-25-17)16(28)26-14-4-2-1-3-12(14)18(21,22)23/h1-9H,(H,26,28)(H,24,25,27)
InChIKeyWOVFVZLLFMUEJQ-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.77
Rot. Bonds4

About 2-(2,4-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide

2-(2,4-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide (PubChem CID 109270001) has the molecular formula C18H11F5N4O and a molecular weight of 394.30 g/mol. Its IUPAC name is 2-(2,4-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
PubChem CID109270001
Molecular FormulaC18H11F5N4O
Molecular Weight394.30 g/mol
Exact Mass394.09
IUPAC Name2-(2,4-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cnc(Nc2ccc(F)cc2F)nc1
InChIInChI=1S/C18H11F5N4O/c19-11-5-6-15(13(20)7-11)27-17-24-8-10(9-25-17)16(28)26-14-4-2-1-3-12(14)18(21,22)23/h1-9H,(H,26,28)(H,24,25,27)
InChIKeyWOVFVZLLFMUEJQ-UHFFFAOYSA-N
XLogP4.77
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloroanilino)-N-(2,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268688
2-(2-cyanoanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109270003
2-(2,4-difluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109270367
N-(2,4-dichlorophenyl)-2-(2,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109270543
2-[(2-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109257093
N-(2,4-difluorophenyl)-5-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109200283
2-(2,4-difluoroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267042
2,4-difluoro-N-[2-(trifluoromethyl)phenyl]benzamide
CID 8896585
2-(2,4-difluoroanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109268037
2-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257864
2-(2,4-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
CID 109267749
2-(cyclopentylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109249844

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(2,4-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide (CID 109270001) is 2-(2,4-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,4-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,4-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1cnc(Nc2ccc(F)cc2F)nc1.
What is the InChIKey of 2-(2,4-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The InChIKey is WOVFVZLLFMUEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F5N4O/c19-11-5-6-15(13(20)7-11)27-17-24-8-10(9-25-17)16(28)26-14-4-2-1-3-12(14)18(21,22)23/h1-9H,(H,26,28)(H,24,25,27).
What are the key properties of 2-(2,4-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
2-(2,4-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide has a molecular weight of 394.30 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109270001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).