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

C11H12F2N2O2 — CID 81285641

IUPAC4-(cyclopropylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(F)c(OCC2CC2)c(F)c1
InChIInChI=1S/C11H12F2N2O2/c12-8-3-7(11(14)15-16)4-9(13)10(8)17-5-6-1-2-6/h3-4,6,16H,1-2,5H2,(H2,14,15)
InChIKeyUTFBNYSPZANLEL-UHFFFAOYSA-N
MW242.22 g/mol
LogP1.85
Rot. Bonds4

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

4-(cyclopropylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 81285641) has the molecular formula C11H12F2N2O2 and a molecular weight of 242.22 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
PubChem CID81285641
Molecular FormulaC11H12F2N2O2
Molecular Weight242.22 g/mol
Exact Mass242.09
IUPAC Name4-(cyclopropylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(F)c(OCC2CC2)c(F)c1
InChIInChI=1S/C11H12F2N2O2/c12-8-3-7(11(14)15-16)4-9(13)10(8)17-5-6-1-2-6/h3-4,6,16H,1-2,5H2,(H2,14,15)
InChIKeyUTFBNYSPZANLEL-UHFFFAOYSA-N
XLogP1.85
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 51.85
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-(cyclopropylmethoxy)-3,5-difluoro-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)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
CID 81283453
4-(cyclobutylmethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide
CID 77068953
(Z)-2-amino-2-[4-(cyclopropylmethoxy)-3,5-difluorophenyl]ethenethiol
CID 88904674
4-(cyclopentylmethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77124857
3,5-difluoro-4-hexoxy-N'-hydroxybenzenecarboximidamide
CID 81285934
5-(bromomethyl)-2-(cyclopropylmethoxy)-1,3-difluorobenzene
CID 79887966
3,5-difluoro-N'-hydroxy-4-(2-methylpentoxy)benzenecarboximidamide
CID 103283904
4-[(cyclopropylmethylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77026658
3-(cyclopentylmethoxy)-N'-hydroxy-5-methoxybenzenecarboximidamide
CID 103567543
2-(cyclopropylmethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109701
4-(cyclopropylmethoxy)-3-fluorobenzenecarbothioamide
CID 43658073
2-(cyclopropylmethoxy)-3,5-difluorobenzonitrile
CID 69036852

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(cyclopropylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide (CID 81285641) is 4-(cyclopropylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1cc(F)c(OCC2CC2)c(F)c1.
What is the InChIKey of 4-(cyclopropylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is UTFBNYSPZANLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O2/c12-8-3-7(11(14)15-16)4-9(13)10(8)17-5-6-1-2-6/h3-4,6,16H,1-2,5H2,(H2,14,15).
What are the key properties of 4-(cyclopropylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide?
4-(cyclopropylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 242.22 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 81285641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).