N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-chlorobenzamide

C15H11ClN2O3 — CID 5404525

IUPACN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-chlorobenzamide
SMILESO=C(N/N=C\c1ccc2c(c1)OCO2)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O3/c16-12-4-2-11(3-5-12)15(19)18-17-8-10-1-6-13-14(7-10)21-9-20-13/h1-8H,9H2,(H,18,19)/b17-8-
InChIKeyRPVKNDDIHSBYPA-IUXPMGMMSA-N
MW302.72 g/mol
LogP2.83
Rot. Bonds3

About N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-chlorobenzamide

N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-chlorobenzamide (PubChem CID 5404525) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-chlorobenzamide
PubChem CID5404525
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC NameN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-chlorobenzamide
SMILESO=C(N/N=C\c1ccc2c(c1)OCO2)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O3/c16-12-4-2-11(3-5-12)15(19)18-17-8-10-1-6-13-14(7-10)21-9-20-13/h1-8H,9H2,(H,18,19)/b17-8-
InChIKeyRPVKNDDIHSBYPA-IUXPMGMMSA-N
XLogP2.83
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)benzamide
CID 2306297
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]benzamide
CID 6894182
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-1,3-benzodioxole-5-carboxamide
CID 2592818
N-[(E)-(4-chlorophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 171978503
N-[2-[2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 5187406
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 135642296
N-[(E)-(4-tert-butylphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6902013
N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-chlorobenzamide
CID 6034378
N-(1,3-benzodioxol-5-ylmethylideneamino)-3,4-dimethoxybenzamide
CID 2063694
N-[(E)-(4-chlorophenyl)methylideneamino]spiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-carboxamide
CID 100606007
4-chloro-N-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]benzamide
CID 9060259
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide
CID 6909474

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-chlorobenzamide?
The IUPAC name of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-chlorobenzamide (CID 5404525) is N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-chlorobenzamide.
What is the SMILES notation for N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-chlorobenzamide?
The canonical SMILES for N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-chlorobenzamide is O=C(N/N=C\c1ccc2c(c1)OCO2)c1ccc(Cl)cc1.
What is the InChIKey of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-chlorobenzamide?
The InChIKey is RPVKNDDIHSBYPA-IUXPMGMMSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c16-12-4-2-11(3-5-12)15(19)18-17-8-10-1-6-13-14(7-10)21-9-20-13/h1-8H,9H2,(H,18,19)/b17-8-.
What are the key properties of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-chlorobenzamide?
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-chlorobenzamide has a molecular weight of 302.72 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-chlorobenzamide is sourced from PubChem (CID 5404525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).