2-(1,3-benzodioxol-5-ylmethoxy)-4-chlorobenzenecarboximidamide

C15H13ClN2O3 — CID 63094208

IUPAC2-(1,3-benzodioxol-5-ylmethoxy)-4-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1OCc1ccc2c(c1)OCO2
InChIInChI=1S/C15H13ClN2O3/c16-10-2-3-11(15(17)18)13(6-10)19-7-9-1-4-12-14(5-9)21-8-20-12/h1-6H,7-8H2,(H3,17,18)
InChIKeyPLYKXGLIYUKOBQ-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.93
Rot. Bonds4

About 2-(1,3-benzodioxol-5-ylmethoxy)-4-chlorobenzenecarboximidamide

2-(1,3-benzodioxol-5-ylmethoxy)-4-chlorobenzenecarboximidamide (PubChem CID 63094208) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylmethoxy)-4-chlorobenzenecarboximidamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylmethoxy)-4-chlorobenzenecarboximidamide
PubChem CID63094208
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name2-(1,3-benzodioxol-5-ylmethoxy)-4-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1OCc1ccc2c(c1)OCO2
InChIInChI=1S/C15H13ClN2O3/c16-10-2-3-11(15(17)18)13(6-10)19-7-9-1-4-12-14(5-9)21-8-20-12/h1-6H,7-8H2,(H3,17,18)
InChIKeyPLYKXGLIYUKOBQ-UHFFFAOYSA-N
XLogP2.93
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.93
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'}

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Related Compounds

2-(1,3-benzodioxol-5-ylmethoxy)-4-chlorobenzenecarbothioamide
CID 63092157
4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide
CID 65126032
2-(1,3-benzodioxol-5-ylmethoxy)-5-chlorobenzenecarbothioamide
CID 62494738
4-chloro-2-[(4-propan-2-ylphenyl)methoxy]benzenecarboximidamide
CID 114323549
4-chloro-2-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 113277412
4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 63092175
4-chloro-2-[(2,6-dichlorophenyl)methoxy]benzenecarboximidamide
CID 114323553
2-(1,3-benzodioxol-5-ylmethoxy)-5-chlorobenzonitrile
CID 62493397
2-(1,3-benzodioxol-5-ylmethoxy)-4-methoxybenzamide
CID 18166105
4-chloro-2-[(3-chloro-4-pyridinyl)methoxy]benzenecarboximidamide
CID 114323640
4-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide
CID 63093018
4-chloro-2-(ethoxymethoxy)benzenecarboximidamide
CID 114323630

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylmethoxy)-4-chlorobenzenecarboximidamide?
The IUPAC name of 2-(1,3-benzodioxol-5-ylmethoxy)-4-chlorobenzenecarboximidamide (CID 63094208) is 2-(1,3-benzodioxol-5-ylmethoxy)-4-chlorobenzenecarboximidamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylmethoxy)-4-chlorobenzenecarboximidamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylmethoxy)-4-chlorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1OCc1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylmethoxy)-4-chlorobenzenecarboximidamide?
The InChIKey is PLYKXGLIYUKOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-10-2-3-11(15(17)18)13(6-10)19-7-9-1-4-12-14(5-9)21-8-20-12/h1-6H,7-8H2,(H3,17,18).
What are the key properties of 2-(1,3-benzodioxol-5-ylmethoxy)-4-chlorobenzenecarboximidamide?
2-(1,3-benzodioxol-5-ylmethoxy)-4-chlorobenzenecarboximidamide has a molecular weight of 304.73 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-ylmethoxy)-4-chlorobenzenecarboximidamide is sourced from PubChem (CID 63094208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).