2-chloro-N'-hydroxy-4-[(4-methoxyphenyl)methoxy]benzenecarboximidamide

C15H15ClN2O3 — CID 76981512

IUPAC2-chloro-N'-hydroxy-4-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
SMILESCOc1ccc(COc2ccc(C(N)=NO)c(Cl)c2)cc1
InChIInChI=1S/C15H15ClN2O3/c1-20-11-4-2-10(3-5-11)9-21-12-6-7-13(14(16)8-12)15(17)18-19/h2-8,19H,9H2,1H3,(H2,17,18)
InChIKeyCVDVWZRDONQNTB-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.02
Rot. Bonds5

About 2-chloro-N'-hydroxy-4-[(4-methoxyphenyl)methoxy]benzenecarboximidamide

2-chloro-N'-hydroxy-4-[(4-methoxyphenyl)methoxy]benzenecarboximidamide (PubChem CID 76981512) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-chloro-N'-hydroxy-4-[(4-methoxyphenyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-hydroxy-4-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
PubChem CID76981512
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name2-chloro-N'-hydroxy-4-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
SMILESCOc1ccc(COc2ccc(C(N)=NO)c(Cl)c2)cc1
InChIInChI=1S/C15H15ClN2O3/c1-20-11-4-2-10(3-5-11)9-21-12-6-7-13(14(16)8-12)15(17)18-19/h2-8,19H,9H2,1H3,(H2,17,18)
InChIKeyCVDVWZRDONQNTB-UHFFFAOYSA-N
XLogP3.02
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-chloro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 102724484
2-bromo-4-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 107279022
2-chloro-N'-hydroxy-4-[(1-methylpyrazol-4-yl)methoxy]benzenecarboximidamide
CID 102724449
2-chloro-4-[(1-ethylpyrazol-4-yl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 102724414
2-chloro-4-[(4-methoxyphenyl)methoxy]aniline
CID 62113615
2-chloro-N'-hydroxy-4-(4-methoxy-N-methylanilino)benzenecarboximidamide
CID 76981453
2-chloro-4-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77013685
2-bromo-N'-hydroxy-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 107278882
2-chloro-N'-hydroxy-4-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide
CID 102724377
2-chloro-N'-hydroxy-4-(2-methoxyphenoxy)benzenecarboximidamide
CID 76981571
N'-hydroxy-2-methyl-4-phenylmethoxybenzenecarboximidamide
CID 81278044
4-(2-bromo-4-methoxyphenoxy)-2-chloro-N'-hydroxybenzenecarboximidamide
CID 104707751

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-hydroxy-4-[(4-methoxyphenyl)methoxy]benzenecarboximidamide?
The IUPAC name of 2-chloro-N'-hydroxy-4-[(4-methoxyphenyl)methoxy]benzenecarboximidamide (CID 76981512) is 2-chloro-N'-hydroxy-4-[(4-methoxyphenyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-hydroxy-4-[(4-methoxyphenyl)methoxy]benzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-hydroxy-4-[(4-methoxyphenyl)methoxy]benzenecarboximidamide is COc1ccc(COc2ccc(C(N)=NO)c(Cl)c2)cc1.
What is the InChIKey of 2-chloro-N'-hydroxy-4-[(4-methoxyphenyl)methoxy]benzenecarboximidamide?
The InChIKey is CVDVWZRDONQNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-20-11-4-2-10(3-5-11)9-21-12-6-7-13(14(16)8-12)15(17)18-19/h2-8,19H,9H2,1H3,(H2,17,18).
What are the key properties of 2-chloro-N'-hydroxy-4-[(4-methoxyphenyl)methoxy]benzenecarboximidamide?
2-chloro-N'-hydroxy-4-[(4-methoxyphenyl)methoxy]benzenecarboximidamide has a molecular weight of 306.75 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-hydroxy-4-[(4-methoxyphenyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 76981512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).