2-bromo-6-fluoro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]benzamide

C13H15BrFN3O2 — CID 114560764

IUPAC2-bromo-6-fluoro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]benzamide
SMILESN/C(=N/O)C1(NC(=O)c2c(F)cccc2Br)CCCC1
InChIInChI=1S/C13H15BrFN3O2/c14-8-4-3-5-9(15)10(8)11(19)17-13(12(16)18-20)6-1-2-7-13/h3-5,20H,1-2,6-7H2,(H2,16,18)(H,17,19)
InChIKeyZXYFEERHGQQPIW-UHFFFAOYSA-N
MW344.18 g/mol
LogP2.38
Rot. Bonds3

About 2-bromo-6-fluoro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]benzamide

2-bromo-6-fluoro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]benzamide (PubChem CID 114560764) has the molecular formula C13H15BrFN3O2 and a molecular weight of 344.18 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]benzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]benzamide
PubChem CID114560764
Molecular FormulaC13H15BrFN3O2
Molecular Weight344.18 g/mol
Exact Mass343.03
IUPAC Name2-bromo-6-fluoro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]benzamide
SMILESN/C(=N/O)C1(NC(=O)c2c(F)cccc2Br)CCCC1
InChIInChI=1S/C13H15BrFN3O2/c14-8-4-3-5-9(15)10(8)11(19)17-13(12(16)18-20)6-1-2-7-13/h3-5,20H,1-2,6-7H2,(H2,16,18)(H,17,19)
InChIKeyZXYFEERHGQQPIW-UHFFFAOYSA-N
XLogP2.38
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 52.38
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-bromo-3-fluoro-N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]benzamide
CID 76914012
2-chloro-3-fluoro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]benzamide
CID 81461993
2-bromo-N-[1-(bromomethyl)cyclopropyl]-6-fluorobenzamide
CID 114561143
2-bromo-N-(1-cyanocyclopentyl)-6-fluorobenzamide
CID 115687322
1-[(2,6-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43162964
2-bromo-6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 114559754
2-bromo-N-(1-ethylcyclobutyl)-6-fluorobenzamide
CID 114559748
4-bromo-2-hydroxy-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76922754
2-bromo-6-fluoro-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107422756
2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide
CID 76931277
N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]pyridazine-4-carboxamide
CID 104671949
2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]acetamide
CID 76931291

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]benzamide?
The IUPAC name of 2-bromo-6-fluoro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]benzamide (CID 114560764) is 2-bromo-6-fluoro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]benzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]benzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]benzamide is N/C(=N/O)C1(NC(=O)c2c(F)cccc2Br)CCCC1.
What is the InChIKey of 2-bromo-6-fluoro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]benzamide?
The InChIKey is ZXYFEERHGQQPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN3O2/c14-8-4-3-5-9(15)10(8)11(19)17-13(12(16)18-20)6-1-2-7-13/h3-5,20H,1-2,6-7H2,(H2,16,18)(H,17,19).
What are the key properties of 2-bromo-6-fluoro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]benzamide?
2-bromo-6-fluoro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]benzamide has a molecular weight of 344.18 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]benzamide is sourced from PubChem (CID 114560764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).