2,5-dichloro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide

C13H15Cl2N3O2 — CID 76978437

IUPAC2,5-dichloro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
SMILESNC(=NO)C1CCCC1NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H15Cl2N3O2/c14-7-4-5-10(15)9(6-7)13(19)17-11-3-1-2-8(11)12(16)18-20/h4-6,8,11,20H,1-3H2,(H2,16,18)(H,17,19)
InChIKeyYKUPALBMQWCJGH-UHFFFAOYSA-N
MW316.19 g/mol
LogP2.64
Rot. Bonds3

About 2,5-dichloro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide

2,5-dichloro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide (PubChem CID 76978437) has the molecular formula C13H15Cl2N3O2 and a molecular weight of 316.19 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
PubChem CID76978437
Molecular FormulaC13H15Cl2N3O2
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name2,5-dichloro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
SMILESNC(=NO)C1CCCC1NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H15Cl2N3O2/c14-7-4-5-10(15)9(6-7)13(19)17-11-3-1-2-8(11)12(16)18-20/h4-6,8,11,20H,1-3H2,(H2,16,18)(H,17,19)
InChIKeyYKUPALBMQWCJGH-UHFFFAOYSA-N
XLogP2.64
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

4-chloro-2-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978486
2-bromo-4-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]benzamide
CID 107992475
2,5-dichloro-N-(2,3-dimethylcyclohexyl)benzamide
CID 43007916
3-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]thiophene-2-carboxamide
CID 80642399
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-iodobenzamide
CID 76978483
2,5-dichloro-N-(2-cyanocyclopentyl)benzamide
CID 55152720
2-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103925625
3-hydroxy-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]pyridine-4-carboxamide
CID 81442465
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylfuran-2-carboxamide
CID 76978371
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
2-[(4-chloro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64813698
3-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylbenzamide
CID 76978373

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide (CID 76978437) is 2,5-dichloro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide is NC(=NO)C1CCCC1NC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide?
The InChIKey is YKUPALBMQWCJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O2/c14-7-4-5-10(15)9(6-7)13(19)17-11-3-1-2-8(11)12(16)18-20/h4-6,8,11,20H,1-3H2,(H2,16,18)(H,17,19).
What are the key properties of 2,5-dichloro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide?
2,5-dichloro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide has a molecular weight of 316.19 g/mol, XLogP of 2.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide is sourced from PubChem (CID 76978437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).