2-(4-acetylanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide

C19H14F2N4O2 — CID 109318223

IUPAC2-(4-acetylanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(Nc2nccc(C(=O)Nc3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C19H14F2N4O2/c1-11(26)12-2-4-13(5-3-12)24-19-22-9-8-17(25-19)18(27)23-14-6-7-15(20)16(21)10-14/h2-10H,1H3,(H,23,27)(H,22,24,25)
InChIKeyYTBQAAQNNUMLAP-UHFFFAOYSA-N
MW368.34 g/mol
LogP3.95
Rot. Bonds5

About 2-(4-acetylanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide

2-(4-acetylanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109318223) has the molecular formula C19H14F2N4O2 and a molecular weight of 368.34 g/mol. Its IUPAC name is 2-(4-acetylanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetylanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
PubChem CID109318223
Molecular FormulaC19H14F2N4O2
Molecular Weight368.34 g/mol
Exact Mass368.11
IUPAC Name2-(4-acetylanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(Nc2nccc(C(=O)Nc3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C19H14F2N4O2/c1-11(26)12-2-4-13(5-3-12)24-19-22-9-8-17(25-19)18(27)23-14-6-7-15(20)16(21)10-14/h2-10H,1H3,(H,23,27)(H,22,24,25)
InChIKeyYTBQAAQNNUMLAP-UHFFFAOYSA-N
XLogP3.95
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-tert-butylanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109316405
N-(3,4-difluorophenyl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109315178
2-(4-acetylanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109318222
N-(3,4-difluorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109318006
2-(4-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109318827
N-(4-tert-butylphenyl)-2-(3,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109316431
2-(4-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109317161
N-(4-acetylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109315686
N-(3-acetylphenyl)-2-anilinopyrimidine-4-carboxamide
CID 109313448
2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide
CID 109318161
N-(3,4-difluorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109318857
N-(4-acetylphenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109317994

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-acetylanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide (CID 109318223) is 2-(4-acetylanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-acetylanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-acetylanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide is CC(=O)c1ccc(Nc2nccc(C(=O)Nc3ccc(F)c(F)c3)n2)cc1.
What is the InChIKey of 2-(4-acetylanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is YTBQAAQNNUMLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O2/c1-11(26)12-2-4-13(5-3-12)24-19-22-9-8-17(25-19)18(27)23-14-6-7-15(20)16(21)10-14/h2-10H,1H3,(H,23,27)(H,22,24,25).
What are the key properties of 2-(4-acetylanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide?
2-(4-acetylanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 368.34 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109318223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).