3-[1-(2-chloro-6-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile

C17H11ClFN3O3 — CID 130405812

IUPAC3-[1-(2-chloro-6-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile
SMILESN#Cc1cccc(C2N(O)C(=O)CN2C(=O)c2c(F)cccc2Cl)c1
InChIInChI=1S/C17H11ClFN3O3/c18-12-5-2-6-13(19)15(12)17(24)21-9-14(23)22(25)16(21)11-4-1-3-10(7-11)8-20/h1-7,16,25H,9H2
InChIKeyLHJKTYUINCWISL-UHFFFAOYSA-N
MW359.74 g/mol
LogP2.72
Rot. Bonds2

About 3-[1-(2-chloro-6-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile

3-[1-(2-chloro-6-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile (PubChem CID 130405812) has the molecular formula C17H11ClFN3O3 and a molecular weight of 359.74 g/mol. Its IUPAC name is 3-[1-(2-chloro-6-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[1-(2-chloro-6-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile
PubChem CID130405812
Molecular FormulaC17H11ClFN3O3
Molecular Weight359.74 g/mol
Exact Mass359.05
IUPAC Name3-[1-(2-chloro-6-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile
SMILESN#Cc1cccc(C2N(O)C(=O)CN2C(=O)c2c(F)cccc2Cl)c1
InChIInChI=1S/C17H11ClFN3O3/c18-12-5-2-6-13(19)15(12)17(24)21-9-14(23)22(25)16(21)11-4-1-3-10(7-11)8-20/h1-7,16,25H,9H2
InChIKeyLHJKTYUINCWISL-UHFFFAOYSA-N
XLogP2.72
TPSA84.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.74
LogP ≤ 52.72
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-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile
CID 130405873
1-(2,6-difluorobenzoyl)-3-hydroxy-2-(3-nitrophenyl)imidazolidin-4-one
CID 130405719
2-(2-bromo-4-pyridinyl)-1-(2,6-difluorobenzoyl)-3-hydroxyimidazolidin-4-one
CID 130405700
2-(3-bromophenyl)-1-(2,6-difluoro-4-methylbenzoyl)-3-hydroxyimidazolidin-4-one
CID 130405721
N-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]acetamide
CID 137497796
(2-chloro-6-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747030
1-(2-chloro-6-fluorobenzoyl)piperazine-2-carbonitrile
CID 79085482
1-(2-chloro-6-fluorobenzoyl)pyrrolidin-3-one
CID 84582258
4-(2-chloro-6-fluorobenzoyl)piperazine-2,6-dione
CID 66083390
2-chloro-N-(2-chloro-4-cyanophenyl)-6-fluorobenzamide
CID 103811173
(2-chloro-6-fluorophenyl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 94080653
(2-chloro-6-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110866905

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloro-6-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile?
The IUPAC name of 3-[1-(2-chloro-6-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile (CID 130405812) is 3-[1-(2-chloro-6-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile.
What is the SMILES notation for 3-[1-(2-chloro-6-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile?
The canonical SMILES for 3-[1-(2-chloro-6-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile is N#Cc1cccc(C2N(O)C(=O)CN2C(=O)c2c(F)cccc2Cl)c1.
What is the InChIKey of 3-[1-(2-chloro-6-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile?
The InChIKey is LHJKTYUINCWISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3O3/c18-12-5-2-6-13(19)15(12)17(24)21-9-14(23)22(25)16(21)11-4-1-3-10(7-11)8-20/h1-7,16,25H,9H2.
What are the key properties of 3-[1-(2-chloro-6-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile?
3-[1-(2-chloro-6-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile has a molecular weight of 359.74 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chloro-6-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile is sourced from PubChem (CID 130405812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).