2-(2-cyclopropylethoxymethyl)-5-fluoro-N'-hydroxybenzenecarboximidamide

C13H17FN2O2 — CID 114157515

IUPAC2-(2-cyclopropylethoxymethyl)-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(F)ccc1COCCC1CC1
InChIInChI=1S/C13H17FN2O2/c14-11-4-3-10(12(7-11)13(15)16-17)8-18-6-5-9-1-2-9/h3-4,7,9,17H,1-2,5-6,8H2,(H2,15,16)
InChIKeyPHLXBOJYZDUDSP-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.24
Rot. Bonds6

About 2-(2-cyclopropylethoxymethyl)-5-fluoro-N'-hydroxybenzenecarboximidamide

2-(2-cyclopropylethoxymethyl)-5-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 114157515) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-(2-cyclopropylethoxymethyl)-5-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(2-cyclopropylethoxymethyl)-5-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID114157515
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name2-(2-cyclopropylethoxymethyl)-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(F)ccc1COCCC1CC1
InChIInChI=1S/C13H17FN2O2/c14-11-4-3-10(12(7-11)13(15)16-17)8-18-6-5-9-1-2-9/h3-4,7,9,17H,1-2,5-6,8H2,(H2,15,16)
InChIKeyPHLXBOJYZDUDSP-UHFFFAOYSA-N
XLogP2.24
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

2-(2-cyclopropylethoxymethyl)-5-fluorobenzoic acid
CID 106206460
5-fluoro-N'-hydroxy-2-(2-methoxyethoxymethyl)benzenecarboximidamide
CID 76994379
5-fluoro-N'-hydroxy-2-(2-propan-2-yloxyethoxymethyl)benzenecarboximidamide
CID 76994345
5-fluoro-2-[(2-fluorophenyl)methoxymethyl]-N'-hydroxybenzenecarboximidamide
CID 77013703
5-fluoro-N'-hydroxy-2-(2-methylpropoxymethyl)benzenecarboximidamide
CID 55171941
2-[(3-ethylcyclohexyl)oxymethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77034498
5-fluoro-N'-hydroxy-2-(phenoxymethyl)benzenecarboximidamide
CID 76994491
2-(2-cyclopropylethoxymethyl)-4-fluorobenzonitrile
CID 106201262
4-(2-cyclopropylethoxymethyl)-3-fluoroaniline
CID 106199901
2-[(3-bromo-5-fluorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 81314094
5-fluoro-N'-hydroxy-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 76997460
5-fluoro-2-(4,4,4-trifluorobutoxymethyl)benzenecarbothioamide
CID 82788247

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethoxymethyl)-5-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(2-cyclopropylethoxymethyl)-5-fluoro-N'-hydroxybenzenecarboximidamide (CID 114157515) is 2-(2-cyclopropylethoxymethyl)-5-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(2-cyclopropylethoxymethyl)-5-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(2-cyclopropylethoxymethyl)-5-fluoro-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1cc(F)ccc1COCCC1CC1.
What is the InChIKey of 2-(2-cyclopropylethoxymethyl)-5-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is PHLXBOJYZDUDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-11-4-3-10(12(7-11)13(15)16-17)8-18-6-5-9-1-2-9/h3-4,7,9,17H,1-2,5-6,8H2,(H2,15,16).
What are the key properties of 2-(2-cyclopropylethoxymethyl)-5-fluoro-N'-hydroxybenzenecarboximidamide?
2-(2-cyclopropylethoxymethyl)-5-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 252.29 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethoxymethyl)-5-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114157515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).