3-[1-(2-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile

C17H12FN3O3 — CID 130405873

IUPAC3-[1-(2-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile
SMILESN#Cc1cccc(C2N(O)C(=O)CN2C(=O)c2ccccc2F)c1
InChIInChI=1S/C17H12FN3O3/c18-14-7-2-1-6-13(14)17(23)20-10-15(22)21(24)16(20)12-5-3-4-11(8-12)9-19/h1-8,16,24H,10H2
InChIKeyDIFBVKRAUBNGJQ-UHFFFAOYSA-N
MW325.30 g/mol
LogP2.07
Rot. Bonds2

About 3-[1-(2-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile

3-[1-(2-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile (PubChem CID 130405873) has the molecular formula C17H12FN3O3 and a molecular weight of 325.30 g/mol. Its IUPAC name is 3-[1-(2-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[1-(2-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile
PubChem CID130405873
Molecular FormulaC17H12FN3O3
Molecular Weight325.30 g/mol
Exact Mass325.09
IUPAC Name3-[1-(2-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile
SMILESN#Cc1cccc(C2N(O)C(=O)CN2C(=O)c2ccccc2F)c1
InChIInChI=1S/C17H12FN3O3/c18-14-7-2-1-6-13(14)17(23)20-10-15(22)21(24)16(20)12-5-3-4-11(8-12)9-19/h1-8,16,24H,10H2
InChIKeyDIFBVKRAUBNGJQ-UHFFFAOYSA-N
XLogP2.07
TPSA84.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Related Compounds

3-[1-(2-chloro-6-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile
CID 130405812
1-(2-fluorobenzoyl)-3-hydroxy-2-(3-iodophenyl)imidazolidin-4-one
CID 130405730
2-(3-bromophenyl)-1-(2,6-difluoro-4-methylbenzoyl)-3-hydroxyimidazolidin-4-one
CID 130405721
2-(2-bromo-4-pyridinyl)-1-(2,6-difluorobenzoyl)-3-hydroxyimidazolidin-4-one
CID 130405700
2-(3-bromophenyl)-1-(2,6-difluoro-4-methoxybenzoyl)-3-hydroxyimidazolidin-4-one
CID 130405765
(2-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747079
(2-fluorophenyl)-(2-methyl-1,4-diazepan-1-yl)methanone
CID 82243404
4-chloro-3-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]benzonitrile
CID 166193513
3-fluoro-4-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)benzonitrile
CID 157015896
4-(2-fluorobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428490
(2-fluorophenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
CID 60978270
3-(2-phenyl-1,3-oxazolidine-3-carbonyl)benzonitrile
CID 110740315

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile?
The IUPAC name of 3-[1-(2-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile (CID 130405873) is 3-[1-(2-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile.
What is the SMILES notation for 3-[1-(2-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile?
The canonical SMILES for 3-[1-(2-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile is N#Cc1cccc(C2N(O)C(=O)CN2C(=O)c2ccccc2F)c1.
What is the InChIKey of 3-[1-(2-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile?
The InChIKey is DIFBVKRAUBNGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O3/c18-14-7-2-1-6-13(14)17(23)20-10-15(22)21(24)16(20)12-5-3-4-11(8-12)9-19/h1-8,16,24H,10H2.
What are the key properties of 3-[1-(2-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile?
3-[1-(2-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile has a molecular weight of 325.30 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile is sourced from PubChem (CID 130405873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).