N'-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-4-ethylbenzohydrazide

C18H16ClFN2O2 — CID 9377264

IUPACN'-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-4-ethylbenzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)/C=C/c2c(F)cccc2Cl)cc1
InChIInChI=1S/C18H16ClFN2O2/c1-2-12-6-8-13(9-7-12)18(24)22-21-17(23)11-10-14-15(19)4-3-5-16(14)20/h3-11H,2H2,1H3,(H,21,23)(H,22,24)/b11-10+
InChIKeyCHWZOJPXXRFDTK-ZHACJKMWSA-N
MW346.79 g/mol
LogP3.52
Rot. Bonds4

About N'-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-4-ethylbenzohydrazide

N'-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-4-ethylbenzohydrazide (PubChem CID 9377264) has the molecular formula C18H16ClFN2O2 and a molecular weight of 346.79 g/mol. Its IUPAC name is N'-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-4-ethylbenzohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-4-ethylbenzohydrazide
PubChem CID9377264
Molecular FormulaC18H16ClFN2O2
Molecular Weight346.79 g/mol
Exact Mass346.09
IUPAC NameN'-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-4-ethylbenzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)/C=C/c2c(F)cccc2Cl)cc1
InChIInChI=1S/C18H16ClFN2O2/c1-2-12-6-8-13(9-7-12)18(24)22-21-17(23)11-10-14-15(19)4-3-5-16(14)20/h3-11H,2H2,1H3,(H,21,23)(H,22,24)/b11-10+
InChIKeyCHWZOJPXXRFDTK-ZHACJKMWSA-N
XLogP3.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 53.52
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

N'-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-4-ethoxybenzohydrazide
CID 9327654
N'-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-3,4,5-trimethoxybenzohydrazide
CID 9273647
N'-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]-4-ethoxybenzohydrazide
CID 9492707
N'-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]benzohydrazide
CID 9414855
N'-[2-(2-chloro-6-fluorophenyl)acetyl]-4-ethylbenzohydrazide
CID 8879631
(E)-3-(2-chloro-6-fluorophenyl)-N-propylprop-2-enamide
CID 6176761
1-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-3-[2-(4-chlorophenyl)ethyl]thiourea
CID 9153751
2-chloro-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]benzohydrazide
CID 9037519
4-ethyl-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 8879645
4-ethyl-N'-[3-(furan-2-yl)prop-2-enoyl]benzohydrazide
CID 78537225
N-benzyl-3-(2-chloro-6-fluorophenyl)prop-2-enamide
CID 897129
N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-fluorobenzohydrazide
CID 9340429

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-4-ethylbenzohydrazide?
The IUPAC name of N'-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-4-ethylbenzohydrazide (CID 9377264) is N'-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-4-ethylbenzohydrazide.
What is the SMILES notation for N'-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-4-ethylbenzohydrazide?
The canonical SMILES for N'-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-4-ethylbenzohydrazide is CCc1ccc(C(=O)NNC(=O)/C=C/c2c(F)cccc2Cl)cc1.
What is the InChIKey of N'-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-4-ethylbenzohydrazide?
The InChIKey is CHWZOJPXXRFDTK-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H16ClFN2O2/c1-2-12-6-8-13(9-7-12)18(24)22-21-17(23)11-10-14-15(19)4-3-5-16(14)20/h3-11H,2H2,1H3,(H,21,23)(H,22,24)/b11-10+.
What are the key properties of N'-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-4-ethylbenzohydrazide?
N'-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-4-ethylbenzohydrazide has a molecular weight of 346.79 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-4-ethylbenzohydrazide is sourced from PubChem (CID 9377264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).