2-chloro-N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]benzohydrazide

C17H15ClN2O3 — CID 35929315

IUPAC2-chloro-N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]benzohydrazide
SMILESCOc1cccc(/C=C/C(=O)NNC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C17H15ClN2O3/c1-23-13-6-4-5-12(11-13)9-10-16(21)19-20-17(22)14-7-2-3-8-15(14)18/h2-11H,1H3,(H,19,21)(H,20,22)/b10-9+
InChIKeyGWCDMLCZEPOYDL-MDZDMXLPSA-N
MW330.77 g/mol
LogP2.82
Rot. Bonds4

About 2-chloro-N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]benzohydrazide

2-chloro-N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]benzohydrazide (PubChem CID 35929315) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 2-chloro-N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]benzohydrazide
PubChem CID35929315
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name2-chloro-N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]benzohydrazide
SMILESCOc1cccc(/C=C/C(=O)NNC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C17H15ClN2O3/c1-23-13-6-4-5-12(11-13)9-10-16(21)19-20-17(22)14-7-2-3-8-15(14)18/h2-11H,1H3,(H,19,21)(H,20,22)/b10-9+
InChIKeyGWCDMLCZEPOYDL-MDZDMXLPSA-N
XLogP2.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 52.82
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

N'-[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]-2-fluorobenzohydrazide
CID 9084759
N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyridine-3-carbohydrazide
CID 26641259
N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 26534157
2-chloro-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]benzohydrazide
CID 9037519
4-[(E)-3-[2-(2-chlorobenzoyl)hydrazinyl]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134061962
N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2-methylbenzohydrazide
CID 923611
N'-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-2-chlorobenzohydrazide
CID 9339315
1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 53405565
2-chloro-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide
CID 9339631
(E)-3-(3-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide
CID 82723936
1-(2-methoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 85442663
N'-[(E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoyl]pyridine-2-carbohydrazide
CID 9033515

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]benzohydrazide?
The IUPAC name of 2-chloro-N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]benzohydrazide (CID 35929315) is 2-chloro-N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]benzohydrazide.
What is the SMILES notation for 2-chloro-N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]benzohydrazide?
The canonical SMILES for 2-chloro-N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]benzohydrazide is COc1cccc(/C=C/C(=O)NNC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]benzohydrazide?
The InChIKey is GWCDMLCZEPOYDL-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-23-13-6-4-5-12(11-13)9-10-16(21)19-20-17(22)14-7-2-3-8-15(14)18/h2-11H,1H3,(H,19,21)(H,20,22)/b10-9+.
What are the key properties of 2-chloro-N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]benzohydrazide?
2-chloro-N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]benzohydrazide has a molecular weight of 330.77 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 35929315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).