4-chloro-2-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide

C13H16ClN3O3 — CID 76978486

IUPAC4-chloro-2-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
SMILESNC(=NO)C1CCCC1NC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C13H16ClN3O3/c14-7-4-5-9(11(18)6-7)13(19)16-10-3-1-2-8(10)12(15)17-20/h4-6,8,10,18,20H,1-3H2,(H2,15,17)(H,16,19)
InChIKeyZUFFSFQIJLOXIN-UHFFFAOYSA-N
MW297.74 g/mol
LogP1.69
Rot. Bonds3

About 4-chloro-2-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide

4-chloro-2-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide (PubChem CID 76978486) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
PubChem CID76978486
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Name4-chloro-2-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
SMILESNC(=NO)C1CCCC1NC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C13H16ClN3O3/c14-7-4-5-9(11(18)6-7)13(19)16-10-3-1-2-8(10)12(15)17-20/h4-6,8,10,18,20H,1-3H2,(H2,15,17)(H,16,19)
InChIKeyZUFFSFQIJLOXIN-UHFFFAOYSA-N
XLogP1.69
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 51.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978437
2-bromo-4-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]benzamide
CID 107992475
3-hydroxy-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]pyridine-4-carboxamide
CID 81442465
4-chloro-2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 94413889
N-[2-(bromomethyl)cyclopentyl]-4-chloro-2-hydroxybenzamide
CID 106366538
4-chloro-N-(2-chlorocyclohexyl)-2-hydroxybenzamide
CID 113272580
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-iodobenzamide
CID 76978483
3-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylbenzamide
CID 76978373
3-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]thiophene-2-carboxamide
CID 80642399
2-[(4-chloro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64813698
4-chloro-N-(2,4-dimethylcyclohexyl)-2-hydroxybenzamide
CID 63999982
2-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103925625

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide?
The IUPAC name of 4-chloro-2-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide (CID 76978486) is 4-chloro-2-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide.
What is the SMILES notation for 4-chloro-2-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide?
The canonical SMILES for 4-chloro-2-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide is NC(=NO)C1CCCC1NC(=O)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-2-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide?
The InChIKey is ZUFFSFQIJLOXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c14-7-4-5-9(11(18)6-7)13(19)16-10-3-1-2-8(10)12(15)17-20/h4-6,8,10,18,20H,1-3H2,(H2,15,17)(H,16,19).
What are the key properties of 4-chloro-2-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide?
4-chloro-2-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide has a molecular weight of 297.74 g/mol, XLogP of 1.69, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide is sourced from PubChem (CID 76978486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).