2-[(2-chlorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide

C18H12ClF3N4O — CID 109305838

IUPAC2-[(2-chlorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1ccnc(NCc2ccccc2Cl)n1
InChIInChI=1S/C18H12ClF3N4O/c19-11-4-2-1-3-10(11)9-24-18-23-8-7-14(26-18)17(27)25-13-6-5-12(20)15(21)16(13)22/h1-8H,9H2,(H,25,27)(H,23,24,26)
InChIKeyUGQUWCDNWNSQSG-UHFFFAOYSA-N
MW392.77 g/mol
LogP4.41
Rot. Bonds5

About 2-[(2-chlorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide

2-[(2-chlorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109305838) has the molecular formula C18H12ClF3N4O and a molecular weight of 392.77 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
PubChem CID109305838
Molecular FormulaC18H12ClF3N4O
Molecular Weight392.77 g/mol
Exact Mass392.07
IUPAC Name2-[(2-chlorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1ccnc(NCc2ccccc2Cl)n1
InChIInChI=1S/C18H12ClF3N4O/c19-11-4-2-1-3-10(11)9-24-18-23-8-7-14(26-18)17(27)25-13-6-5-12(20)15(21)16(13)22/h1-8H,9H2,(H,25,27)(H,23,24,26)
InChIKeyUGQUWCDNWNSQSG-UHFFFAOYSA-N
XLogP4.41
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.77
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 109305799
6-[(2-chlorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109348577
2-[(2-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109305794
2-[(2-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109305785
2-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109305811
N-(3-acetamidophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109305822
N-[(2-chlorophenyl)methyl]-2-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109305895
2-(cyclopropylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109295710
N-[(2-chlorophenyl)methyl]-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109211690
N-(2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303953
4-[(2-chlorophenyl)methylamino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109211770
N-(2-chlorophenyl)-2-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109316435

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide (CID 109305838) is 2-[(2-chlorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide is O=C(Nc1ccc(F)c(F)c1F)c1ccnc(NCc2ccccc2Cl)n1.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is UGQUWCDNWNSQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N4O/c19-11-4-2-1-3-10(11)9-24-18-23-8-7-14(26-18)17(27)25-13-6-5-12(20)15(21)16(13)22/h1-8H,9H2,(H,25,27)(H,23,24,26).
What are the key properties of 2-[(2-chlorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
2-[(2-chlorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 392.77 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109305838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).