4-(cyclopentylmethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide

C13H17FN2O2 — CID 77124857

IUPAC4-(cyclopentylmethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(OCC2CCCC2)c(F)c1
InChIInChI=1S/C13H17FN2O2/c14-11-7-10(13(15)16-17)5-6-12(11)18-8-9-3-1-2-4-9/h5-7,9,17H,1-4,8H2,(H2,15,16)
InChIKeyMUGAEWPBCOCVKU-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.49
Rot. Bonds4

About 4-(cyclopentylmethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide

4-(cyclopentylmethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 77124857) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 4-(cyclopentylmethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(cyclopentylmethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID77124857
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name4-(cyclopentylmethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(OCC2CCCC2)c(F)c1
InChIInChI=1S/C13H17FN2O2/c14-11-7-10(13(15)16-17)5-6-12(11)18-8-9-3-1-2-4-9/h5-7,9,17H,1-4,8H2,(H2,15,16)
InChIKeyMUGAEWPBCOCVKU-UHFFFAOYSA-N
XLogP2.49
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.49
H-Bond Donors ≤ 52
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 4-(cyclopentylmethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide 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

4-(cyclopentylmethoxy)-3-fluorobenzenecarbothioamide
CID 66322191
4-(cyclopentylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
CID 81283453
3-chloro-4-(cyclobutylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 77067797
4-(cyclohexylmethoxy)-3-fluorobenzenecarboximidamide
CID 62383562
4-(cyclopropylmethoxy)-3-fluorobenzenecarbothioamide
CID 43658073
4-(cyclopropylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
CID 81285641
3-fluoro-N'-hydroxy-4-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide
CID 107912481
4-[(cyclopentylmethylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77030237
4-(cyclohexylmethoxy)-N'-hydroxy-3-(tetrazol-1-yl)benzenecarboximidamide
CID 155663753
4-(3-ethoxypropoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666346
4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene
CID 130161233
3-fluoro-N'-hydroxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide
CID 107666368

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(cyclopentylmethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide (CID 77124857) is 4-(cyclopentylmethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(cyclopentylmethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(cyclopentylmethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccc(OCC2CCCC2)c(F)c1.
What is the InChIKey of 4-(cyclopentylmethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is MUGAEWPBCOCVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-11-7-10(13(15)16-17)5-6-12(11)18-8-9-3-1-2-4-9/h5-7,9,17H,1-4,8H2,(H2,15,16).
What are the key properties of 4-(cyclopentylmethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide?
4-(cyclopentylmethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 252.29 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77124857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).