2-(4-chloroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide

C17H12ClFN4O — CID 109268903

IUPAC2-(4-chloroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cnc(Nc2ccc(Cl)cc2)nc1
InChIInChI=1S/C17H12ClFN4O/c18-12-4-6-14(7-5-12)23-17-20-9-11(10-21-17)16(24)22-15-3-1-2-13(19)8-15/h1-10H,(H,22,24)(H,20,21,23)
InChIKeyHGXVIGLSUUVLHK-UHFFFAOYSA-N
MW342.76 g/mol
LogP4.26
Rot. Bonds4

About 2-(4-chloroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide

2-(4-chloroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide (PubChem CID 109268903) has the molecular formula C17H12ClFN4O and a molecular weight of 342.76 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
PubChem CID109268903
Molecular FormulaC17H12ClFN4O
Molecular Weight342.76 g/mol
Exact Mass342.07
IUPAC Name2-(4-chloroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cnc(Nc2ccc(Cl)cc2)nc1
InChIInChI=1S/C17H12ClFN4O/c18-12-4-6-14(7-5-12)23-17-20-9-11(10-21-17)16(24)22-15-3-1-2-13(19)8-15/h1-10H,(H,22,24)(H,20,21,23)
InChIKeyHGXVIGLSUUVLHK-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

2-(3-chloro-4-fluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109269249
2-(4-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268923
N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109270045
2-(4-chloroanilino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109268891
2-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268814
2-(3-chloroanilino)-N-(4-chlorophenyl)pyrimidine-5-carboxamide
CID 109268761
2-(4-chloroanilino)-N-(3,4-dichlorophenyl)pyrimidine-5-carboxamide
CID 109268910
2-(2,4-difluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109270367
2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265542
N-(3-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109270326
2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268705
N-(3,5-dichlorophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109268578

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-chloroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide (CID 109268903) is 2-(4-chloroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-chloroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide is O=C(Nc1cccc(F)c1)c1cnc(Nc2ccc(Cl)cc2)nc1.
What is the InChIKey of 2-(4-chloroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide?
The InChIKey is HGXVIGLSUUVLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN4O/c18-12-4-6-14(7-5-12)23-17-20-9-11(10-21-17)16(24)22-15-3-1-2-13(19)8-15/h1-10H,(H,22,24)(H,20,21,23).
What are the key properties of 2-(4-chloroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide?
2-(4-chloroanilino)-N-(3-fluorophenyl)pyrimidine-5-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-(4-chloroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109268903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).