3,4-dichloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]benzamide

C15H9Cl3N2O3 — CID 1001986

IUPAC3,4-dichloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cc2c(cc1Cl)OCO2)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H9Cl3N2O3/c16-10-2-1-8(3-12(10)18)15(21)20-19-6-9-4-13-14(5-11(9)17)23-7-22-13/h1-6H,7H2,(H,20,21)
InChIKeyHWCGAHXAKJGTLQ-UHFFFAOYSA-N
MW371.61 g/mol
LogP4.14
Rot. Bonds3

About 3,4-dichloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]benzamide

3,4-dichloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]benzamide (PubChem CID 1001986) has the molecular formula C15H9Cl3N2O3 and a molecular weight of 371.61 g/mol. Its IUPAC name is 3,4-dichloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]benzamide
PubChem CID1001986
Molecular FormulaC15H9Cl3N2O3
Molecular Weight371.61 g/mol
Exact Mass369.97
IUPAC Name3,4-dichloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cc2c(cc1Cl)OCO2)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H9Cl3N2O3/c16-10-2-1-8(3-12(10)18)15(21)20-19-6-9-4-13-14(5-11(9)17)23-7-22-13/h1-6H,7H2,(H,20,21)
InChIKeyHWCGAHXAKJGTLQ-UHFFFAOYSA-N
XLogP4.14
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.61
LogP ≤ 54.14
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

3,4-dichloro-N-[(E)-(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]benzamide
CID 126109970
3,4-dichloro-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide
CID 6140040
3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 780461
N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-5-propan-2-ylthiophene-3-carboxamide
CID 4290907
N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-chlorobenzamide
CID 6034378
N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-5-ethylpyridine-2-carboxamide
CID 833743
N-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-2-phenylacetamide
CID 5332602
2-(1,3-benzodioxol-5-yl)-N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]acetamide
CID 126055349
4-bromo-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 1028419
N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-2-(4-fluoroanilino)acetamide
CID 905701
3,4-dichloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 4588973
N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 9233477

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]benzamide?
The IUPAC name of 3,4-dichloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]benzamide (CID 1001986) is 3,4-dichloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]benzamide?
The canonical SMILES for 3,4-dichloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]benzamide is O=C(NN=Cc1cc2c(cc1Cl)OCO2)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]benzamide?
The InChIKey is HWCGAHXAKJGTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3N2O3/c16-10-2-1-8(3-12(10)18)15(21)20-19-6-9-4-13-14(5-11(9)17)23-7-22-13/h1-6H,7H2,(H,20,21).
What are the key properties of 3,4-dichloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]benzamide?
3,4-dichloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]benzamide has a molecular weight of 371.61 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]benzamide is sourced from PubChem (CID 1001986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).