(E)-3-[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enehydrazide

C17H15BrCl2N2O3 — CID 91689344

IUPAC(E)-3-[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enehydrazide
SMILESCOc1cc(/C=C/C(=O)NN)c(Br)cc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15BrCl2N2O3/c1-24-15-7-11(3-5-17(23)22-21)12(18)8-16(15)25-9-10-2-4-13(19)14(20)6-10/h2-8H,9,21H2,1H3,(H,22,23)/b5-3+
InChIKeyXZQGFHPDGRTEEU-HWKANZROSA-N
MW446.13 g/mol
LogP4.35
Rot. Bonds6

About (E)-3-[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enehydrazide

(E)-3-[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enehydrazide (PubChem CID 91689344) has the molecular formula C17H15BrCl2N2O3 and a molecular weight of 446.13 g/mol. Its IUPAC name is (E)-3-[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enehydrazide
PubChem CID91689344
Molecular FormulaC17H15BrCl2N2O3
Molecular Weight446.13 g/mol
Exact Mass443.96
IUPAC Name(E)-3-[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enehydrazide
SMILESCOc1cc(/C=C/C(=O)NN)c(Br)cc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15BrCl2N2O3/c1-24-15-7-11(3-5-17(23)22-21)12(18)8-16(15)25-9-10-2-4-13(19)14(20)6-10/h2-8H,9,21H2,1H3,(H,22,23)/b5-3+
InChIKeyXZQGFHPDGRTEEU-HWKANZROSA-N
XLogP4.35
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.13
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enehydrazide
CID 131848176
(NZ)-N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine
CID 91689795
methyl 2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxybenzoate
CID 91689328
N-[(E)-[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]benzamide
CID 126085583
methyl (2R)-2-[(5E)-5-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
CID 126106837
3-[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 1008179
3-bromo-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91683383
(5Z)-5-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126387284
4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide
CID 6458100
(E)-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enehydrazide
CID 91685038
N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-methylbutan-2-amine
CID 66535220
3-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]-4-methoxybenzoic acid
CID 66543128

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enehydrazide?
The IUPAC name of (E)-3-[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enehydrazide (CID 91689344) is (E)-3-[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enehydrazide.
What is the SMILES notation for (E)-3-[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enehydrazide?
The canonical SMILES for (E)-3-[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enehydrazide is COc1cc(/C=C/C(=O)NN)c(Br)cc1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (E)-3-[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enehydrazide?
The InChIKey is XZQGFHPDGRTEEU-HWKANZROSA-N. The full InChI is InChI=1S/C17H15BrCl2N2O3/c1-24-15-7-11(3-5-17(23)22-21)12(18)8-16(15)25-9-10-2-4-13(19)14(20)6-10/h2-8H,9,21H2,1H3,(H,22,23)/b5-3+.
What are the key properties of (E)-3-[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enehydrazide?
(E)-3-[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enehydrazide has a molecular weight of 446.13 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enehydrazide is sourced from PubChem (CID 91689344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).