2-(2-chloroanilino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide

C17H12ClFN4O — CID 109316502

IUPAC2-(2-chloroanilino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccnc(Nc2ccccc2Cl)n1
InChIInChI=1S/C17H12ClFN4O/c18-11-5-1-3-7-13(11)22-17-20-10-9-15(23-17)16(24)21-14-8-4-2-6-12(14)19/h1-10H,(H,21,24)(H,20,22,23)
InChIKeyJGAQFVJOLWHAHK-UHFFFAOYSA-N
MW342.76 g/mol
LogP4.26
Rot. Bonds4

About 2-(2-chloroanilino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide

2-(2-chloroanilino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109316502) has the molecular formula C17H12ClFN4O and a molecular weight of 342.76 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide
PubChem CID109316502
Molecular FormulaC17H12ClFN4O
Molecular Weight342.76 g/mol
Exact Mass342.07
IUPAC Name2-(2-chloroanilino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccnc(Nc2ccccc2Cl)n1
InChIInChI=1S/C17H12ClFN4O/c18-11-5-1-3-7-13(11)22-17-20-10-9-15(23-17)16(24)21-14-8-4-2-6-12(14)19/h1-10H,(H,21,24)(H,20,22,23)
InChIKeyJGAQFVJOLWHAHK-UHFFFAOYSA-N
XLogP4.26
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.76
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109316435
N-(3,5-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109316487
2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109316704
2-[(2-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 109305799
2-(2-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109315594
N-(2-fluorophenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109316520
N-[(2-chlorophenyl)methyl]-2-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109305895
2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109318750
2-(3-chloro-2-methylanilino)-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109317062
N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide
CID 109316799
2-(2,4-dichloroanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109318714
N-(4-tert-butylphenyl)-2-(2-chloroanilino)pyrimidine-4-carboxamide
CID 109316409

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-chloroanilino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide (CID 109316502) is 2-(2-chloroanilino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-chloroanilino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide is O=C(Nc1ccccc1F)c1ccnc(Nc2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chloroanilino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is JGAQFVJOLWHAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN4O/c18-11-5-1-3-7-13(11)22-17-20-10-9-15(23-17)16(24)21-14-8-4-2-6-12(14)19/h1-10H,(H,21,24)(H,20,22,23).
What are the key properties of 2-(2-chloroanilino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide?
2-(2-chloroanilino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 342.76 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109316502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).