(E)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide

C17H13BrCl2N2O3 — CID 6232626

IUPAC(E)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide
SMILESO=C(/C=C/c1ccccc1Cl)NNC(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C17H13BrCl2N2O3/c18-13-9-12(19)6-7-15(13)25-10-17(24)22-21-16(23)8-5-11-3-1-2-4-14(11)20/h1-9H,10H2,(H,21,23)(H,22,24)/b8-5+
InChIKeyFZPLHAVBQJRPKK-VMPITWQZSA-N
MW444.11 g/mol
LogP4.00
Rot. Bonds5

About (E)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide

(E)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide (PubChem CID 6232626) has the molecular formula C17H13BrCl2N2O3 and a molecular weight of 444.11 g/mol. Its IUPAC name is (E)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide
PubChem CID6232626
Molecular FormulaC17H13BrCl2N2O3
Molecular Weight444.11 g/mol
Exact Mass441.95
IUPAC Name(E)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide
SMILESO=C(/C=C/c1ccccc1Cl)NNC(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C17H13BrCl2N2O3/c18-13-9-12(19)6-7-15(13)25-10-17(24)22-21-16(23)8-5-11-3-1-2-4-14(11)20/h1-9H,10H2,(H,21,23)(H,22,24)/b8-5+
InChIKeyFZPLHAVBQJRPKK-VMPITWQZSA-N
XLogP4.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.11
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 6232652
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 5229550
N'-[2-(2,4-dichlorophenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 5191338
(E)-3-(2-chlorophenyl)-N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]prop-2-enehydrazide
CID 6133360
(Z)-N'-[2-(2,4-dichlorophenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 93027879
3-(2-chlorophenyl)-N'-[2-(4-methylphenoxy)acetyl]prop-2-enehydrazide
CID 4507139
(E)-N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide
CID 2062687
N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-3-(2-methoxyphenyl)prop-2-enehydrazide
CID 3326196
(E)-N'-[2-(2-chlorophenoxy)acetyl]-3-(2-nitrophenyl)prop-2-enehydrazide
CID 9470311
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)acetohydrazide
CID 2210119
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 3479657
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-methylbenzohydrazide
CID 5245314

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide?
The IUPAC name of (E)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide (CID 6232626) is (E)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide is O=C(/C=C/c1ccccc1Cl)NNC(=O)COc1ccc(Cl)cc1Br.
What is the InChIKey of (E)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide?
The InChIKey is FZPLHAVBQJRPKK-VMPITWQZSA-N. The full InChI is InChI=1S/C17H13BrCl2N2O3/c18-13-9-12(19)6-7-15(13)25-10-17(24)22-21-16(23)8-5-11-3-1-2-4-14(11)20/h1-9H,10H2,(H,21,23)(H,22,24)/b8-5+.
What are the key properties of (E)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide?
(E)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide has a molecular weight of 444.11 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-(2-chlorophenyl)prop-2-enehydrazide is sourced from PubChem (CID 6232626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).