2-(2,4-difluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide

C17H11F3N4O — CID 109270367

IUPAC2-(2,4-difluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cnc(Nc2ccc(F)cc2F)nc1
InChIInChI=1S/C17H11F3N4O/c18-11-2-1-3-13(6-11)23-16(25)10-8-21-17(22-9-10)24-15-5-4-12(19)7-14(15)20/h1-9H,(H,23,25)(H,21,22,24)
InChIKeyQSBSEMJMFRBNHX-UHFFFAOYSA-N
MW344.30 g/mol
LogP3.89
Rot. Bonds4

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

2-(2,4-difluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide (PubChem CID 109270367) has the molecular formula C17H11F3N4O and a molecular weight of 344.30 g/mol. Its IUPAC name is 2-(2,4-difluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
PubChem CID109270367
Molecular FormulaC17H11F3N4O
Molecular Weight344.30 g/mol
Exact Mass344.09
IUPAC Name2-(2,4-difluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cnc(Nc2ccc(F)cc2F)nc1
InChIInChI=1S/C17H11F3N4O/c18-11-2-1-3-13(6-11)23-16(25)10-8-21-17(22-9-10)24-15-5-4-12(19)7-14(15)20/h1-9H,(H,23,25)(H,21,22,24)
InChIKeyQSBSEMJMFRBNHX-UHFFFAOYSA-N
XLogP3.89
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-difluoroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267042
2-(4-chloroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109268903
2-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269621
2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265542
2-(3-chloro-4-fluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109269249
N-(2,4-dichlorophenyl)-2-(2,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109270543
3-N-(2,4-difluorophenyl)-1-N-(3-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057757
2-(2,4-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109270001
methyl 3-[[5-[(2,4-difluorophenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109270233
N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109270045
2-(2,4-difluoroanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109268037
2-(2-chloroanilino)-N-(2,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268688

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2,4-difluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide (CID 109270367) is 2-(2,4-difluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,4-difluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,4-difluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide is O=C(Nc1cccc(F)c1)c1cnc(Nc2ccc(F)cc2F)nc1.
What is the InChIKey of 2-(2,4-difluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide?
The InChIKey is QSBSEMJMFRBNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O/c18-11-2-1-3-13(6-11)23-16(25)10-8-21-17(22-9-10)24-15-5-4-12(19)7-14(15)20/h1-9H,(H,23,25)(H,21,22,24).
What are the key properties of 2-(2,4-difluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide?
2-(2,4-difluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide has a molecular weight of 344.30 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109270367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).