3-chloro-4-(cyclopropylmethoxymethyl)-N'-hydroxybenzenecarboximidamide

C12H15ClN2O2 — CID 102667617

IUPAC3-chloro-4-(cyclopropylmethoxymethyl)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(COCC2CC2)c(Cl)c1
InChIInChI=1S/C12H15ClN2O2/c13-11-5-9(12(14)15-16)3-4-10(11)7-17-6-8-1-2-8/h3-5,8,16H,1-2,6-7H2,(H2,14,15)
InChIKeyGKUHVKXOSZNOPG-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.36
Rot. Bonds5

About 3-chloro-4-(cyclopropylmethoxymethyl)-N'-hydroxybenzenecarboximidamide

3-chloro-4-(cyclopropylmethoxymethyl)-N'-hydroxybenzenecarboximidamide (PubChem CID 102667617) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 3-chloro-4-(cyclopropylmethoxymethyl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-(cyclopropylmethoxymethyl)-N'-hydroxybenzenecarboximidamide
PubChem CID102667617
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name3-chloro-4-(cyclopropylmethoxymethyl)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(COCC2CC2)c(Cl)c1
InChIInChI=1S/C12H15ClN2O2/c13-11-5-9(12(14)15-16)3-4-10(11)7-17-6-8-1-2-8/h3-5,8,16H,1-2,6-7H2,(H2,14,15)
InChIKeyGKUHVKXOSZNOPG-UHFFFAOYSA-N
XLogP2.36
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.36
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-[(4-bromophenyl)methoxymethyl]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 102667692
3-chloro-4-(cyclobutylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 77067797
3-chloro-4-[(dimethylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 102666795
3-chloro-4-[[cyclopropyl(propyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 102666807
3-chloro-4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 102666899
4-[(4-bromo-2-chlorophenoxy)methyl]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 102667619
3-chloro-4-[(2-chloro-5-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 102667635
3-chloro-N'-hydroxy-4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzenecarboximidamide
CID 102666920
methyl 2-[2-chloro-4-(N'-hydroxycarbamimidoyl)phenyl]acetate
CID 86683498
[3-chloro-4-(cyclopentylmethoxymethyl)phenyl]methanamine
CID 102663600
3-chloro-4-[(2,4-dimethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 102666917
3-chloro-N'-hydroxy-4-[(4-methylazepan-1-yl)methyl]benzenecarboximidamide
CID 102666939

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(cyclopropylmethoxymethyl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-chloro-4-(cyclopropylmethoxymethyl)-N'-hydroxybenzenecarboximidamide (CID 102667617) is 3-chloro-4-(cyclopropylmethoxymethyl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-(cyclopropylmethoxymethyl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-chloro-4-(cyclopropylmethoxymethyl)-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(COCC2CC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(cyclopropylmethoxymethyl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is GKUHVKXOSZNOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-11-5-9(12(14)15-16)3-4-10(11)7-17-6-8-1-2-8/h3-5,8,16H,1-2,6-7H2,(H2,14,15).
What are the key properties of 3-chloro-4-(cyclopropylmethoxymethyl)-N'-hydroxybenzenecarboximidamide?
3-chloro-4-(cyclopropylmethoxymethyl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 254.72 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(cyclopropylmethoxymethyl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 102667617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).