3-[(2,3-dichlorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide

C15H14Cl2N2O2 — CID 107656853

IUPAC3-[(2,3-dichlorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCc1ccc(/C(N)=N/O)cc1OCc1cccc(Cl)c1Cl
InChIInChI=1S/C15H14Cl2N2O2/c1-9-5-6-10(15(18)19-20)7-13(9)21-8-11-3-2-4-12(16)14(11)17/h2-7,20H,8H2,1H3,(H2,18,19)
InChIKeyYHYBWVPQHXMHGI-UHFFFAOYSA-N
MW325.20 g/mol
LogP3.98
Rot. Bonds4

About 3-[(2,3-dichlorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide

3-[(2,3-dichlorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide (PubChem CID 107656853) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 3-[(2,3-dichlorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name3-[(2,3-dichlorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide
PubChem CID107656853
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name3-[(2,3-dichlorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCc1ccc(/C(N)=N/O)cc1OCc1cccc(Cl)c1Cl
InChIInChI=1S/C15H14Cl2N2O2/c1-9-5-6-10(15(18)19-20)7-13(9)21-8-11-3-2-4-12(16)14(11)17/h2-7,20H,8H2,1H3,(H2,18,19)
InChIKeyYHYBWVPQHXMHGI-UHFFFAOYSA-N
XLogP3.98
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.98
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-chloro-4-[(2,3-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 107306604
3-[(2-bromophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 107656922
3-[(2-chloro-5-fluorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 107656951
3-chloro-4-[(5-fluoro-2-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 102982030
3-chloro-4-[(2-chloro-5-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 102667635
4-[(3-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483210
1,2-dichloro-3-[(2,3-dimethylphenoxy)methyl]benzene
CID 107310416
1-[3-chloro-4-[(2,3-dichlorophenyl)methoxy]phenyl]ethanone
CID 107306491
(NZ)-N-[1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 107306639
4-[(2,3-dichlorophenyl)methoxy]-3-fluorobenzenecarbothioamide
CID 107665851
2-[(2,3-dichlorophenyl)methoxy]-4-methylaniline
CID 107305411
3-chloro-4-[(2,5-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77065131

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dichlorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide?
The IUPAC name of 3-[(2,3-dichlorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide (CID 107656853) is 3-[(2,3-dichlorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide.
What is the SMILES notation for 3-[(2,3-dichlorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide?
The canonical SMILES for 3-[(2,3-dichlorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide is Cc1ccc(/C(N)=N/O)cc1OCc1cccc(Cl)c1Cl.
What is the InChIKey of 3-[(2,3-dichlorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide?
The InChIKey is YHYBWVPQHXMHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-9-5-6-10(15(18)19-20)7-13(9)21-8-11-3-2-4-12(16)14(11)17/h2-7,20H,8H2,1H3,(H2,18,19).
What are the key properties of 3-[(2,3-dichlorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide?
3-[(2,3-dichlorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide has a molecular weight of 325.20 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dichlorophenyl)methoxy]-N'-hydroxy-4-methylbenzenecarboximidamide is sourced from PubChem (CID 107656853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).