N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopentanecarboxamide

C13H16FN3O2 — CID 82685115

IUPACN-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopentanecarboxamide
SMILESN/C(=N/O)c1cc(F)ccc1NC(=O)C1CCCC1
InChIInChI=1S/C13H16FN3O2/c14-9-5-6-11(10(7-9)12(15)17-19)16-13(18)8-3-1-2-4-8/h5-8,19H,1-4H2,(H2,15,17)(H,16,18)
InChIKeyAFAMBYOJHFDPHC-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.05
Rot. Bonds3

About N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopentanecarboxamide

N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopentanecarboxamide (PubChem CID 82685115) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopentanecarboxamide
PubChem CID82685115
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC NameN-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopentanecarboxamide
SMILESN/C(=N/O)c1cc(F)ccc1NC(=O)C1CCCC1
InChIInChI=1S/C13H16FN3O2/c14-9-5-6-11(10(7-9)12(15)17-19)16-13(18)8-3-1-2-4-8/h5-8,19H,1-4H2,(H2,15,17)(H,16,18)
InChIKeyAFAMBYOJHFDPHC-UHFFFAOYSA-N
XLogP2.05
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.05
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'}

Analyze N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopentanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(E)-N'-hydroxycarbamimidoyl]-4-(trifluoromethyl)phenyl]cyclobutanecarboxamide
CID 115911689
N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopentanecarboxamide
CID 107809931
N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-(oxolan-2-yl)propanamide
CID 82017155
N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cycloheptanecarboxamide
CID 107809919
2-(cycloheptanecarbonylamino)-4-fluorobenzoic acid
CID 62585770
N-(2-acetamido-5-fluorophenyl)cyclohexanecarboxamide
CID 113092924
N-(2-carbamothioyl-4-fluorophenyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 82016441
2-[(3-aminocyclohexanecarbonyl)amino]-5-fluorobenzoic acid
CID 63047302
N-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide
CID 17069288
1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
N-[4-bromo-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 82704250
N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1,3-thiazole-4-carboxamide
CID 82685689

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopentanecarboxamide (CID 82685115) is N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopentanecarboxamide is N/C(=N/O)c1cc(F)ccc1NC(=O)C1CCCC1.
What is the InChIKey of N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopentanecarboxamide?
The InChIKey is AFAMBYOJHFDPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c14-9-5-6-11(10(7-9)12(15)17-19)16-13(18)8-3-1-2-4-8/h5-8,19H,1-4H2,(H2,15,17)(H,16,18).
What are the key properties of N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopentanecarboxamide?
N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopentanecarboxamide has a molecular weight of 265.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 82685115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).