6-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

C18H12ClF3N4O — CID 109358063

IUPAC6-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cc(Nc2ccccc2Cl)ncn1
InChIInChI=1S/C18H12ClF3N4O/c19-12-6-2-4-8-14(12)25-16-9-15(23-10-24-16)17(27)26-13-7-3-1-5-11(13)18(20,21)22/h1-10H,(H,26,27)(H,23,24,25)
InChIKeyIHZIQXZBHDWEAK-UHFFFAOYSA-N
MW392.77 g/mol
LogP5.14
Rot. Bonds4

About 6-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

6-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 109358063) has the molecular formula C18H12ClF3N4O and a molecular weight of 392.77 g/mol. Its IUPAC name is 6-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
PubChem CID109358063
Molecular FormulaC18H12ClF3N4O
Molecular Weight392.77 g/mol
Exact Mass392.07
IUPAC Name6-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cc(Nc2ccccc2Cl)ncn1
InChIInChI=1S/C18H12ClF3N4O/c19-12-6-2-4-8-14(12)25-16-9-15(23-10-24-16)17(27)26-13-7-3-1-5-11(13)18(20,21)22/h1-10H,(H,26,27)(H,23,24,25)
InChIKeyIHZIQXZBHDWEAK-UHFFFAOYSA-N
XLogP5.14
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.77
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109359290
6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 110860737
6-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109358798
6-(cyclohexylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109341925
6-(2-chloroanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338941
6-(2-chloroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348438
6-(2-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356960
N-(2-chlorophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109357083
N-[(3-methylphenyl)methyl]-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109347229
N-(2-tert-butylphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357752
methyl 4-[[6-(2-chloroanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109358072
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine
CID 112865738

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (CID 109358063) is 6-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1cc(Nc2ccccc2Cl)ncn1.
What is the InChIKey of 6-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is IHZIQXZBHDWEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N4O/c19-12-6-2-4-8-14(12)25-16-9-15(23-10-24-16)17(27)26-13-7-3-1-5-11(13)18(20,21)22/h1-10H,(H,26,27)(H,23,24,25).
What are the key properties of 6-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
6-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 392.77 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109358063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).