N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-iodobenzamide

C13H16IN3O2 — CID 76978483

IUPACN-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-iodobenzamide
SMILESNC(=NO)C1CCCC1NC(=O)c1ccccc1I
InChIInChI=1S/C13H16IN3O2/c14-10-6-2-1-4-8(10)13(18)16-11-7-3-5-9(11)12(15)17-19/h1-2,4,6,9,11,19H,3,5,7H2,(H2,15,17)(H,16,18)
InChIKeyBGBQMPZYWMEDFC-UHFFFAOYSA-N
MW373.19 g/mol
LogP1.94
Rot. Bonds3

About N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-iodobenzamide

N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-iodobenzamide (PubChem CID 76978483) has the molecular formula C13H16IN3O2 and a molecular weight of 373.19 g/mol. Its IUPAC name is N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-iodobenzamide
PubChem CID76978483
Molecular FormulaC13H16IN3O2
Molecular Weight373.19 g/mol
Exact Mass373.03
IUPAC NameN-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-iodobenzamide
SMILESNC(=NO)C1CCCC1NC(=O)c1ccccc1I
InChIInChI=1S/C13H16IN3O2/c14-10-6-2-1-4-8(10)13(18)16-11-7-3-5-9(11)12(15)17-19/h1-2,4,6,9,11,19H,3,5,7H2,(H2,15,17)(H,16,18)
InChIKeyBGBQMPZYWMEDFC-UHFFFAOYSA-N
XLogP1.94
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.19
LogP ≤ 51.94
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': 'iodine', '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-[(2-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64813949
2-ethoxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978574
N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 6709814
N-(2-hydroxycyclohexyl)-2-iodobenzamide
CID 62365410
2,5-dichloro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978437
2-iodo-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 60722477
4-chloro-2-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978486
3-hydroxy-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]pyridine-4-carboxamide
CID 81442465
2-bromo-4-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]benzamide
CID 107992475
3-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]thiophene-2-carboxamide
CID 80642399
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylfuran-2-carboxamide
CID 76978371
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-phenylpropanamide
CID 76978572

Frequently Asked Questions

What is the IUPAC name of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-iodobenzamide?
The IUPAC name of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-iodobenzamide (CID 76978483) is N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-iodobenzamide.
What is the SMILES notation for N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-iodobenzamide?
The canonical SMILES for N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-iodobenzamide is NC(=NO)C1CCCC1NC(=O)c1ccccc1I.
What is the InChIKey of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-iodobenzamide?
The InChIKey is BGBQMPZYWMEDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16IN3O2/c14-10-6-2-1-4-8(10)13(18)16-11-7-3-5-9(11)12(15)17-19/h1-2,4,6,9,11,19H,3,5,7H2,(H2,15,17)(H,16,18).
What are the key properties of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-iodobenzamide?
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-iodobenzamide has a molecular weight of 373.19 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-iodobenzamide is sourced from PubChem (CID 76978483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).