5-chloro-2-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide

C14H12Cl2N2O2 — CID 77056964

IUPAC5-chloro-2-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cc(Cl)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C14H12Cl2N2O2/c15-10-3-1-9(2-4-10)8-20-13-6-5-11(16)7-12(13)14(17)18-19/h1-7,19H,8H2,(H2,17,18)
InChIKeyJPIIRYTUDKGFGP-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.67
Rot. Bonds4

About 5-chloro-2-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide

5-chloro-2-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide (PubChem CID 77056964) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 5-chloro-2-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
PubChem CID77056964
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name5-chloro-2-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cc(Cl)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C14H12Cl2N2O2/c15-10-3-1-9(2-4-10)8-20-13-6-5-11(16)7-12(13)14(17)18-19/h1-7,19H,8H2,(H2,17,18)
InChIKeyJPIIRYTUDKGFGP-UHFFFAOYSA-N
XLogP3.67
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.67
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

2-[(4-bromophenyl)methoxy]-4-chloro-N'-hydroxybenzenecarboximidamide
CID 114323375
2-[(2-bromophenyl)methoxy]-5-chloro-N'-hydroxybenzenecarboximidamide
CID 82824507
5-chloro-2-heptoxy-N'-hydroxybenzenecarboximidamide
CID 76944556
2-bromo-4-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 107279022
4-chloro-N'-hydroxy-2-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide
CID 114323334
5-chloro-2-[(4-methoxyphenyl)methoxy]benzenecarbothioamide
CID 62494579
[(E)-[amino-(4-chlorophenyl)methylidene]amino] 5-chloro-2-phenylmethoxybenzoate
CID 8813160
3-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24702087
5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzenecarbothioamide
CID 20991923
2-chloro-N'-hydroxy-3-phenylmethoxybenzenecarboximidamide;hydrochloride
CID 175042655
2-[(4-chloro-2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114849596
4-chloro-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 76984860

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 5-chloro-2-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide (CID 77056964) is 5-chloro-2-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 5-chloro-2-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide is NC(=NO)c1cc(Cl)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-2-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The InChIKey is JPIIRYTUDKGFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c15-10-3-1-9(2-4-10)8-20-13-6-5-11(16)7-12(13)14(17)18-19/h1-7,19H,8H2,(H2,17,18).
What are the key properties of 5-chloro-2-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
5-chloro-2-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide has a molecular weight of 311.17 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77056964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).