N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-chlorobenzamide

C15H10BrClN2O3 — CID 6034378

IUPACN-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-chlorobenzamide
SMILESO=C(N/N=C\c1cc2c(cc1Br)OCO2)c1ccc(Cl)cc1
InChIInChI=1S/C15H10BrClN2O3/c16-12-6-14-13(21-8-22-14)5-10(12)7-18-19-15(20)9-1-3-11(17)4-2-9/h1-7H,8H2,(H,19,20)/b18-7-
InChIKeySWIKZPJDRYFUOI-WSVATBPTSA-N
MW381.61 g/mol
LogP3.60
Rot. Bonds3

About N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-chlorobenzamide

N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-chlorobenzamide (PubChem CID 6034378) has the molecular formula C15H10BrClN2O3 and a molecular weight of 381.61 g/mol. Its IUPAC name is N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-chlorobenzamide
PubChem CID6034378
Molecular FormulaC15H10BrClN2O3
Molecular Weight381.61 g/mol
Exact Mass379.96
IUPAC NameN-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-chlorobenzamide
SMILESO=C(N/N=C\c1cc2c(cc1Br)OCO2)c1ccc(Cl)cc1
InChIInChI=1S/C15H10BrClN2O3/c16-12-6-14-13(21-8-22-14)5-10(12)7-18-19-15(20)9-1-3-11(17)4-2-9/h1-7H,8H2,(H,19,20)/b18-7-
InChIKeySWIKZPJDRYFUOI-WSVATBPTSA-N
XLogP3.60
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.61
LogP ≤ 53.60
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

N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]pyridine-4-carboxamide
CID 5367261
N-[(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 1362638
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-chlorobenzamide
CID 5404525
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 5430724
3,4-dichloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]benzamide
CID 1001986
N,N'-bis[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]hexanediamide
CID 6162466
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)benzamide
CID 2306297
4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]benzamide
CID 3645450
4-bromo-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 5445386
4-amino-N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 5497402
N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 9060329
N-[(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(3-chlorophenoxy)acetamide
CID 1368198

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-chlorobenzamide?
The IUPAC name of N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-chlorobenzamide (CID 6034378) is N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-chlorobenzamide.
What is the SMILES notation for N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-chlorobenzamide?
The canonical SMILES for N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-chlorobenzamide is O=C(N/N=C\c1cc2c(cc1Br)OCO2)c1ccc(Cl)cc1.
What is the InChIKey of N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-chlorobenzamide?
The InChIKey is SWIKZPJDRYFUOI-WSVATBPTSA-N. The full InChI is InChI=1S/C15H10BrClN2O3/c16-12-6-14-13(21-8-22-14)5-10(12)7-18-19-15(20)9-1-3-11(17)4-2-9/h1-7H,8H2,(H,19,20)/b18-7-.
What are the key properties of N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-chlorobenzamide?
N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-chlorobenzamide has a molecular weight of 381.61 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-chlorobenzamide is sourced from PubChem (CID 6034378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).