3-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide

C14H13ClN2O2 — CID 24702087

IUPAC3-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H13ClN2O2/c15-12-6-4-10(5-7-12)9-19-13-3-1-2-11(8-13)14(16)17-18/h1-8,18H,9H2,(H2,16,17)
InChIKeyAKMYZSFQVKMHHR-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.01
Rot. Bonds4

About 3-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide

3-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide (PubChem CID 24702087) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
PubChem CID24702087
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name3-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H13ClN2O2/c15-12-6-4-10(5-7-12)9-19-13-3-1-2-11(8-13)14(16)17-18/h1-8,18H,9H2,(H2,16,17)
InChIKeyAKMYZSFQVKMHHR-UHFFFAOYSA-N
XLogP3.01
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.01
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

3-[(3,4-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76909555
3-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 105403778
N'-hydroxy-3-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 43646208
3-(2,3-dihydro-1H-inden-5-ylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 77022763
N'-hydroxy-3-[(3-methoxyphenoxy)methyl]benzenecarboximidamide
CID 24699055
2-bromo-4-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 107279022
3-[(4-chloro-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 43185939
(NZ)-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 91681560
4-[(3-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483210
N'-hydroxy-3-(2-methylpropoxy)benzenecarboximidamide
CID 24698660
4-[3-[(4-chlorophenyl)methoxy]phenyl]-2,4-dioxobutanoic acid
CID 91935361
3-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide
CID 77066586

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide (CID 24702087) is 3-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide is N/C(=N\O)c1cccc(OCc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The InChIKey is AKMYZSFQVKMHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-12-6-4-10(5-7-12)9-19-13-3-1-2-11(8-13)14(16)17-18/h1-8,18H,9H2,(H2,16,17).
What are the key properties of 3-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
3-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide has a molecular weight of 276.72 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 24702087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).