2-chloro-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]benzohydrazide

C18H17ClN2O2 — CID 9037519

IUPAC2-chloro-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]benzohydrazide
SMILESCCc1ccc(/C=C/C(=O)NNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C18H17ClN2O2/c1-2-13-7-9-14(10-8-13)11-12-17(22)20-21-18(23)15-5-3-4-6-16(15)19/h3-12H,2H2,1H3,(H,20,22)(H,21,23)/b12-11+
InChIKeyQIFRSVZOMVVKQP-VAWYXSNFSA-N
MW328.80 g/mol
LogP3.38
Rot. Bonds4

About 2-chloro-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]benzohydrazide

2-chloro-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]benzohydrazide (PubChem CID 9037519) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-chloro-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]benzohydrazide
PubChem CID9037519
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name2-chloro-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]benzohydrazide
SMILESCCc1ccc(/C=C/C(=O)NNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C18H17ClN2O2/c1-2-13-7-9-14(10-8-13)11-12-17(22)20-21-18(23)15-5-3-4-6-16(15)19/h3-12H,2H2,1H3,(H,20,22)(H,21,23)/b12-11+
InChIKeyQIFRSVZOMVVKQP-VAWYXSNFSA-N
XLogP3.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

4-[(E)-3-[2-(2-chlorobenzoyl)hydrazinyl]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134061962
4-amino-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]quinoline-3-carbohydrazide
CID 39849144
2-chloro-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide
CID 9339631
(E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one
CID 143411738
2-chloro-N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]benzohydrazide
CID 35929315
ethyl (Z)-4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobut-2-enoate
CID 98076020
N'-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-4-ethylbenzohydrazide
CID 9377264
N-cyclopropyl-4-[(E)-3-[2-(4-ethylbenzoyl)hydrazinyl]-3-oxoprop-1-enyl]benzamide
CID 134048452
(E)-3-(4-propylphenyl)-N'-[(E)-3-(4-propylphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406109
N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 9033820
N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-2-iodobenzohydrazide
CID 17227221
N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-2-fluorobenzohydrazide
CID 9402292

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]benzohydrazide?
The IUPAC name of 2-chloro-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]benzohydrazide (CID 9037519) is 2-chloro-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]benzohydrazide.
What is the SMILES notation for 2-chloro-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]benzohydrazide?
The canonical SMILES for 2-chloro-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]benzohydrazide is CCc1ccc(/C=C/C(=O)NNC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]benzohydrazide?
The InChIKey is QIFRSVZOMVVKQP-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-2-13-7-9-14(10-8-13)11-12-17(22)20-21-18(23)15-5-3-4-6-16(15)19/h3-12H,2H2,1H3,(H,20,22)(H,21,23)/b12-11+.
What are the key properties of 2-chloro-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]benzohydrazide?
2-chloro-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]benzohydrazide has a molecular weight of 328.80 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 9037519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).