2-(3-chloro-4-fluoroanilino)-N-(2,4-difluorophenyl)pyrimidine-5-carboxamide

C17H10ClF3N4O — CID 109269252

IUPAC2-(3-chloro-4-fluoroanilino)-N-(2,4-difluorophenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cnc(Nc2ccc(F)c(Cl)c2)nc1
InChIInChI=1S/C17H10ClF3N4O/c18-12-6-11(2-3-13(12)20)24-17-22-7-9(8-23-17)16(26)25-15-4-1-10(19)5-14(15)21/h1-8H,(H,25,26)(H,22,23,24)
InChIKeyJGQGHUIOPLNGDM-UHFFFAOYSA-N
MW378.74 g/mol
LogP4.54
Rot. Bonds4

About 2-(3-chloro-4-fluoroanilino)-N-(2,4-difluorophenyl)pyrimidine-5-carboxamide

2-(3-chloro-4-fluoroanilino)-N-(2,4-difluorophenyl)pyrimidine-5-carboxamide (PubChem CID 109269252) has the molecular formula C17H10ClF3N4O and a molecular weight of 378.74 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoroanilino)-N-(2,4-difluorophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluoroanilino)-N-(2,4-difluorophenyl)pyrimidine-5-carboxamide
PubChem CID109269252
Molecular FormulaC17H10ClF3N4O
Molecular Weight378.74 g/mol
Exact Mass378.05
IUPAC Name2-(3-chloro-4-fluoroanilino)-N-(2,4-difluorophenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cnc(Nc2ccc(F)c(Cl)c2)nc1
InChIInChI=1S/C17H10ClF3N4O/c18-12-6-11(2-3-13(12)20)24-17-22-7-9(8-23-17)16(26)25-15-4-1-10(19)5-14(15)21/h1-8H,(H,25,26)(H,22,23,24)
InChIKeyJGQGHUIOPLNGDM-UHFFFAOYSA-N
XLogP4.54
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.74
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-fluoroanilino)-N-(4-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109269075
2-(3-chloro-4-fluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109269249
N-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266816
N-(2,4-dichlorophenyl)-2-(2,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109270543
2-(2-chloroanilino)-N-(2,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268688
2-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265311
2-(3-chloro-4-fluoroanilino)-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide
CID 109269145
N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methylanilino)pyrimidine-5-carboxamide
CID 109269179
N-(2-tert-butylphenyl)-2-(3-chloro-4-fluoroanilino)pyrimidine-5-carboxamide
CID 109268205
2-(4-acetamidoanilino)-N-(3-chloro-4-fluorophenyl)pyrimidine-5-carboxamide
CID 109269223
2-(3,4-dichloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109270604
methyl 3-[[5-[(2,4-difluorophenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109270233

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoroanilino)-N-(2,4-difluorophenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-chloro-4-fluoroanilino)-N-(2,4-difluorophenyl)pyrimidine-5-carboxamide (CID 109269252) is 2-(3-chloro-4-fluoroanilino)-N-(2,4-difluorophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-fluoroanilino)-N-(2,4-difluorophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-chloro-4-fluoroanilino)-N-(2,4-difluorophenyl)pyrimidine-5-carboxamide is O=C(Nc1ccc(F)cc1F)c1cnc(Nc2ccc(F)c(Cl)c2)nc1.
What is the InChIKey of 2-(3-chloro-4-fluoroanilino)-N-(2,4-difluorophenyl)pyrimidine-5-carboxamide?
The InChIKey is JGQGHUIOPLNGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N4O/c18-12-6-11(2-3-13(12)20)24-17-22-7-9(8-23-17)16(26)25-15-4-1-10(19)5-14(15)21/h1-8H,(H,25,26)(H,22,23,24).
What are the key properties of 2-(3-chloro-4-fluoroanilino)-N-(2,4-difluorophenyl)pyrimidine-5-carboxamide?
2-(3-chloro-4-fluoroanilino)-N-(2,4-difluorophenyl)pyrimidine-5-carboxamide has a molecular weight of 378.74 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluoroanilino)-N-(2,4-difluorophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109269252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).