N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-2-fluorobenzohydrazide

C18H17FN2O3 — CID 9402292

IUPACN'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-2-fluorobenzohydrazide
SMILESCCOc1ccc(/C=C/C(=O)NNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C18H17FN2O3/c1-2-24-14-10-7-13(8-11-14)9-12-17(22)20-21-18(23)15-5-3-4-6-16(15)19/h3-12H,2H2,1H3,(H,20,22)(H,21,23)/b12-9+
InChIKeyNGUWZLPCWUCFCQ-FMIVXFBMSA-N
MW328.34 g/mol
LogP2.70
Rot. Bonds5

About N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-2-fluorobenzohydrazide

N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-2-fluorobenzohydrazide (PubChem CID 9402292) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-2-fluorobenzohydrazide
PubChem CID9402292
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC NameN'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-2-fluorobenzohydrazide
SMILESCCOc1ccc(/C=C/C(=O)NNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C18H17FN2O3/c1-2-24-14-10-7-13(8-11-14)9-12-17(22)20-21-18(23)15-5-3-4-6-16(15)19/h3-12H,2H2,1H3,(H,20,22)(H,21,23)/b12-9+
InChIKeyNGUWZLPCWUCFCQ-FMIVXFBMSA-N
XLogP2.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.70
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-(4-ethoxyphenyl)prop-2-enoyl]-2-iodobenzohydrazide
CID 17227221
(E)-3-(4-ethoxyphenyl)-N'-[2-(2-fluorophenoxy)acetyl]prop-2-enehydrazide
CID 9471919
N'-[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]-2-fluorobenzohydrazide
CID 9084759
N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-2,4-dimethylbenzohydrazide
CID 9276376
N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)prop-2-enoylamino]benzamide
CID 4941568
(E)-3-(4-ethoxyphenyl)-N-[[(2-methoxybenzoyl)amino]carbamothioyl]prop-2-enamide
CID 17227688
methyl 4-[[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]carbamoyl]benzoate
CID 21406094
N-(4-ethoxyphenyl)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 17227107
2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 17195477
N'-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-4-ethoxybenzohydrazide
CID 9327654
(E)-3-(4-ethoxyphenyl)-N'-(2-naphthalen-1-ylacetyl)prop-2-enehydrazide
CID 17227282
N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 9314781

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-2-fluorobenzohydrazide?
The IUPAC name of N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-2-fluorobenzohydrazide (CID 9402292) is N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-2-fluorobenzohydrazide.
What is the SMILES notation for N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-2-fluorobenzohydrazide?
The canonical SMILES for N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-2-fluorobenzohydrazide is CCOc1ccc(/C=C/C(=O)NNC(=O)c2ccccc2F)cc1.
What is the InChIKey of N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-2-fluorobenzohydrazide?
The InChIKey is NGUWZLPCWUCFCQ-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-2-24-14-10-7-13(8-11-14)9-12-17(22)20-21-18(23)15-5-3-4-6-16(15)19/h3-12H,2H2,1H3,(H,20,22)(H,21,23)/b12-9+.
What are the key properties of N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-2-fluorobenzohydrazide?
N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-2-fluorobenzohydrazide has a molecular weight of 328.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-2-fluorobenzohydrazide is sourced from PubChem (CID 9402292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).