3-benzyl-N-(2,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

C18H13F2N3O3 — CID 3695666

IUPAC3-benzyl-N-(2,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cc(=O)n(Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C18H13F2N3O3/c19-12-6-7-14(13(20)8-12)21-17(25)15-9-16(24)23(18(26)22-15)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,21,25)(H,22,26)
InChIKeyGQSKORIFPITCBN-UHFFFAOYSA-N
MW357.32 g/mol
LogP2.12
Rot. Bonds4

About 3-benzyl-N-(2,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

3-benzyl-N-(2,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 3695666) has the molecular formula C18H13F2N3O3 and a molecular weight of 357.32 g/mol. Its IUPAC name is 3-benzyl-N-(2,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-(2,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID3695666
Molecular FormulaC18H13F2N3O3
Molecular Weight357.32 g/mol
Exact Mass357.09
IUPAC Name3-benzyl-N-(2,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cc(=O)n(Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C18H13F2N3O3/c19-12-6-7-14(13(20)8-12)21-17(25)15-9-16(24)23(18(26)22-15)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,21,25)(H,22,26)
InChIKeyGQSKORIFPITCBN-UHFFFAOYSA-N
XLogP2.12
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 4210205
N-(2,4-difluorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 1471117
1-benzyl-N-(2,4-difluorophenyl)triazole-4-carboxamide
CID 18152169
N-(2-aminophenyl)-4-[(5-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide
CID 11675218
1-benzyl-N-(2,4-difluorophenyl)-3-phenylpyrazole-4-carboxamide
CID 9209390
1-N,2-N-bis(2,4-difluorophenyl)benzene-1,2-dicarboxamide
CID 4062467
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
N-(2,4-difluorophenyl)-2,2-dimethyl-4-phenylbutanamide
CID 174373739
N-(2,4-difluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9164957
N-(2,4-difluorophenyl)-4-oxo-1H-pyridine-2-carboxamide
CID 110863623
(3S)-1-benzyl-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2372506
N-(2,4-difluorophenyl)-2-(3-phenylpropyl)benzamide
CID 87114822

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(2,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of 3-benzyl-N-(2,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 3695666) is 3-benzyl-N-(2,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 3-benzyl-N-(2,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 3-benzyl-N-(2,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is O=C(Nc1ccc(F)cc1F)c1cc(=O)n(Cc2ccccc2)c(=O)[nH]1.
What is the InChIKey of 3-benzyl-N-(2,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is GQSKORIFPITCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O3/c19-12-6-7-14(13(20)8-12)21-17(25)15-9-16(24)23(18(26)22-15)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,21,25)(H,22,26).
What are the key properties of 3-benzyl-N-(2,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
3-benzyl-N-(2,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 357.32 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(2,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 3695666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).