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

C16H13BrCl2N2O2 — CID 91684795

IUPAC(E)-3-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enehydrazide
SMILESNNC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1
InChIInChI=1S/C16H13BrCl2N2O2/c17-13-7-10(2-6-16(22)21-20)1-5-15(13)23-9-11-3-4-12(18)8-14(11)19/h1-8H,9,20H2,(H,21,22)/b6-2+
InChIKeyUUBHJXGKZQCINC-QHHAFSJGSA-N
MW416.10 g/mol
LogP4.34
Rot. Bonds5

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

(E)-3-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enehydrazide (PubChem CID 91684795) has the molecular formula C16H13BrCl2N2O2 and a molecular weight of 416.10 g/mol. Its IUPAC name is (E)-3-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enehydrazide
PubChem CID91684795
Molecular FormulaC16H13BrCl2N2O2
Molecular Weight416.10 g/mol
Exact Mass413.95
IUPAC Name(E)-3-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enehydrazide
SMILESNNC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1
InChIInChI=1S/C16H13BrCl2N2O2/c17-13-7-10(2-6-16(22)21-20)1-5-15(13)23-9-11-3-4-12(18)8-14(11)19/h1-8H,9,20H2,(H,21,22)/b6-2+
InChIKeyUUBHJXGKZQCINC-QHHAFSJGSA-N
XLogP4.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.10
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(E)-3-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]prop-2-enehydrazide
CID 91685179
(E)-3-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-iodophenyl]prop-2-enehydrazide
CID 91684841
3-[3-bromo-4-(2-methylpropoxy)phenyl]prop-2-enehydrazide
CID 131849528
ethyl (E)-3-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enoate
CID 91684776
3-[3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 171137566
(E)-3-[3-bromo-4-[(2-bromophenyl)methoxy]-5-chlorophenyl]prop-2-enehydrazide
CID 91686120
4-[(2-bromo-4-chlorophenoxy)methyl]-3-chlorobenzoic acid
CID 102670133
(E)-3-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide
CID 1001142
(Z)-3-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide
CID 92903679
(E)-3-[3-[(2-chlorophenyl)methoxy]phenyl]prop-2-enehydrazide
CID 91685535
N-[(E)-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 126368958
(5Z)-5-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 2283639

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enehydrazide?
The IUPAC name of (E)-3-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enehydrazide (CID 91684795) is (E)-3-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enehydrazide.
What is the SMILES notation for (E)-3-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enehydrazide?
The canonical SMILES for (E)-3-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enehydrazide is NNC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1.
What is the InChIKey of (E)-3-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enehydrazide?
The InChIKey is UUBHJXGKZQCINC-QHHAFSJGSA-N. The full InChI is InChI=1S/C16H13BrCl2N2O2/c17-13-7-10(2-6-16(22)21-20)1-5-15(13)23-9-11-3-4-12(18)8-14(11)19/h1-8H,9,20H2,(H,21,22)/b6-2+.
What are the key properties of (E)-3-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enehydrazide?
(E)-3-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enehydrazide has a molecular weight of 416.10 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enehydrazide is sourced from PubChem (CID 91684795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).