2-bromo-N'-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]benzohydrazide

C18H17BrN2O3 — CID 9340094

IUPAC2-bromo-N'-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]benzohydrazide
SMILESCCOc1ccccc1/C=C/C(=O)NNC(=O)c1ccccc1Br
InChIInChI=1S/C18H17BrN2O3/c1-2-24-16-10-6-3-7-13(16)11-12-17(22)20-21-18(23)14-8-4-5-9-15(14)19/h3-12H,2H2,1H3,(H,20,22)(H,21,23)/b12-11+
InChIKeyGBLPGNMYWYCVRZ-VAWYXSNFSA-N
MW389.25 g/mol
LogP3.32
Rot. Bonds5

About 2-bromo-N'-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]benzohydrazide

2-bromo-N'-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]benzohydrazide (PubChem CID 9340094) has the molecular formula C18H17BrN2O3 and a molecular weight of 389.25 g/mol. Its IUPAC name is 2-bromo-N'-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name2-bromo-N'-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]benzohydrazide
PubChem CID9340094
Molecular FormulaC18H17BrN2O3
Molecular Weight389.25 g/mol
Exact Mass388.04
IUPAC Name2-bromo-N'-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]benzohydrazide
SMILESCCOc1ccccc1/C=C/C(=O)NNC(=O)c1ccccc1Br
InChIInChI=1S/C18H17BrN2O3/c1-2-24-16-10-6-3-7-13(16)11-12-17(22)20-21-18(23)14-8-4-5-9-15(14)19/h3-12H,2H2,1H3,(H,20,22)(H,21,23)/b12-11+
InChIKeyGBLPGNMYWYCVRZ-VAWYXSNFSA-N
XLogP3.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 53.32
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

3-(2-ethoxyphenyl)-N-ethylprop-2-enamide
CID 76872072
N'-[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]-2-bromobenzohydrazide
CID 30856096
(E)-3-(2-ethoxyphenyl)-N'-[2-(2-fluorophenoxy)acetyl]prop-2-enehydrazide
CID 9471914
(E)-3-(2-bromophenyl)-N-[(2-ethoxyphenyl)methyl]prop-2-enamide
CID 60565625
N'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide
CID 24609581
(E)-3-(2-ethoxyphenyl)-N-phenylmethoxyprop-2-enamide
CID 9227551
[2-(2-benzoylhydrazinyl)-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 7850485
(E)-3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]prop-2-enehydrazide
CID 26901654
(E)-3-(2-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide
CID 9341691
(E)-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(2-ethoxyphenyl)prop-2-enehydrazide
CID 26845882
N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 73010718
(E)-3-(2-ethoxyphenyl)-N-(2-ethylbutyl)prop-2-enamide
CID 115612707

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]benzohydrazide?
The IUPAC name of 2-bromo-N'-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]benzohydrazide (CID 9340094) is 2-bromo-N'-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]benzohydrazide.
What is the SMILES notation for 2-bromo-N'-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]benzohydrazide?
The canonical SMILES for 2-bromo-N'-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]benzohydrazide is CCOc1ccccc1/C=C/C(=O)NNC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N'-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]benzohydrazide?
The InChIKey is GBLPGNMYWYCVRZ-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H17BrN2O3/c1-2-24-16-10-6-3-7-13(16)11-12-17(22)20-21-18(23)14-8-4-5-9-15(14)19/h3-12H,2H2,1H3,(H,20,22)(H,21,23)/b12-11+.
What are the key properties of 2-bromo-N'-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]benzohydrazide?
2-bromo-N'-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]benzohydrazide has a molecular weight of 389.25 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 9340094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).