4-(cyclopentylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide

C13H16F2N2O2 — CID 81283453

IUPAC4-(cyclopentylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(F)c(OCC2CCCC2)c(F)c1
InChIInChI=1S/C13H16F2N2O2/c14-10-5-9(13(16)17-18)6-11(15)12(10)19-7-8-3-1-2-4-8/h5-6,8,18H,1-4,7H2,(H2,16,17)
InChIKeyHAEKBKKJWSKTJW-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.63
Rot. Bonds4

About 4-(cyclopentylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide

4-(cyclopentylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 81283453) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 4-(cyclopentylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(cyclopentylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
PubChem CID81283453
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name4-(cyclopentylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(F)c(OCC2CCCC2)c(F)c1
InChIInChI=1S/C13H16F2N2O2/c14-10-5-9(13(16)17-18)6-11(15)12(10)19-7-8-3-1-2-4-8/h5-6,8,18H,1-4,7H2,(H2,16,17)
InChIKeyHAEKBKKJWSKTJW-UHFFFAOYSA-N
XLogP2.63
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.63
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'}

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Related Compounds

4-(cyclopropylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
CID 81285641
4-(cyclopentylmethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77124857
4-(cyclobutylmethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide
CID 77068953
3-(cyclopentylmethoxy)-N'-hydroxy-5-methoxybenzenecarboximidamide
CID 103567543
(Z)-2-amino-2-[4-(cyclopropylmethoxy)-3,5-difluorophenyl]ethenethiol
CID 88904674
4-[(cyclopentylmethylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77030237
3,5-difluoro-4-hexoxy-N'-hydroxybenzenecarboximidamide
CID 81285934
3-chloro-4-(cyclobutylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 77067797
4-(cyclopentylmethoxy)-3-fluorobenzenecarbothioamide
CID 66322191
3,5-difluoro-N'-hydroxy-4-(2-methylpentoxy)benzenecarboximidamide
CID 103283904
4-(4-ethylazepan-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
CID 81286775
4-(2-cyclobutylethoxy)-3,5-difluorobenzenecarbothioamide
CID 106201734

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(cyclopentylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide (CID 81283453) is 4-(cyclopentylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(cyclopentylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(cyclopentylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1cc(F)c(OCC2CCCC2)c(F)c1.
What is the InChIKey of 4-(cyclopentylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is HAEKBKKJWSKTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c14-10-5-9(13(16)17-18)6-11(15)12(10)19-7-8-3-1-2-4-8/h5-6,8,18H,1-4,7H2,(H2,16,17).
What are the key properties of 4-(cyclopentylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide?
4-(cyclopentylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 270.28 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 81283453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).