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

C18H12ClF3N4O — CID 109268616

IUPACN-(2-chlorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cnc(Nc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C18H12ClF3N4O/c19-14-3-1-2-4-15(14)26-16(27)11-9-23-17(24-10-11)25-13-7-5-12(6-8-13)18(20,21)22/h1-10H,(H,26,27)(H,23,24,25)
InChIKeyBMLSVLWLRYTSMD-UHFFFAOYSA-N
MW392.77 g/mol
LogP5.14
Rot. Bonds4

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

N-(2-chlorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide (PubChem CID 109268616) has the molecular formula C18H12ClF3N4O and a molecular weight of 392.77 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
PubChem CID109268616
Molecular FormulaC18H12ClF3N4O
Molecular Weight392.77 g/mol
Exact Mass392.07
IUPAC NameN-(2-chlorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cnc(Nc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C18H12ClF3N4O/c19-14-3-1-2-4-15(14)26-16(27)11-9-23-17(24-10-11)25-13-7-5-12(6-8-13)18(20,21)22/h1-10H,(H,26,27)(H,23,24,25)
InChIKeyBMLSVLWLRYTSMD-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-chlorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109244388
N-(2-chlorophenyl)-2-(3,5-dichloroanilino)pyrimidine-5-carboxamide
CID 109268637
N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109268626
N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109270045
2-(4-tert-butylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265301
2-(4-chloroanilino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109268891
2-(1,3-benzodioxol-5-ylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide
CID 109268628
N-(4-cyanophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109270050
2-(4-chloroanilino)-N-(2,4-dichlorophenyl)pyrimidine-5-carboxamide
CID 109268911
N-(2-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109268603
2-(4-tert-butylanilino)-N-(2-cyanophenyl)pyrimidine-5-carboxamide
CID 109268313
2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268651

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide (CID 109268616) is N-(2-chlorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide is O=C(Nc1ccccc1Cl)c1cnc(Nc2ccc(C(F)(F)F)cc2)nc1.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The InChIKey is BMLSVLWLRYTSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N4O/c19-14-3-1-2-4-15(14)26-16(27)11-9-23-17(24-10-11)25-13-7-5-12(6-8-13)18(20,21)22/h1-10H,(H,26,27)(H,23,24,25).
What are the key properties of N-(2-chlorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
N-(2-chlorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-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 N-(2-chlorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109268616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).