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

C16H11Cl2FN2O2 — CID 9340429

IUPACN'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-fluorobenzohydrazide
SMILESO=C(/C=C/c1cccc(Cl)c1Cl)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H11Cl2FN2O2/c17-13-3-1-2-10(15(13)18)6-9-14(22)20-21-16(23)11-4-7-12(19)8-5-11/h1-9H,(H,20,22)(H,21,23)/b9-6+
InChIKeyWOQFJZSPEVLUPW-RMKNXTFCSA-N
MW353.18 g/mol
LogP3.61
Rot. Bonds3

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

N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-fluorobenzohydrazide (PubChem CID 9340429) has the molecular formula C16H11Cl2FN2O2 and a molecular weight of 353.18 g/mol. Its IUPAC name is N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-fluorobenzohydrazide
PubChem CID9340429
Molecular FormulaC16H11Cl2FN2O2
Molecular Weight353.18 g/mol
Exact Mass352.02
IUPAC NameN'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-fluorobenzohydrazide
SMILESO=C(/C=C/c1cccc(Cl)c1Cl)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H11Cl2FN2O2/c17-13-3-1-2-10(15(13)18)6-9-14(22)20-21-16(23)11-4-7-12(19)8-5-11/h1-9H,(H,20,22)(H,21,23)/b9-6+
InChIKeyWOQFJZSPEVLUPW-RMKNXTFCSA-N
XLogP3.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 53.61
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-chloro-N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]benzohydrazide
CID 6133133
N-[4-[[3-(2-chlorophenyl)prop-2-enoylamino]carbamoyl]phenyl]acetamide
CID 4506938
N'-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]benzohydrazide
CID 9414855
N'-[3-(2-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 4628576
3-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide
CID 76859976
N-[4-[[3-(4-fluorophenyl)prop-2-enoylamino]carbamoyl]phenyl]benzamide
CID 3299354
5-chloro-N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-2-methoxybenzohydrazide
CID 9472211
N'-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-4-ethylbenzohydrazide
CID 9377264
3-(2,3-dichlorophenyl)-1-(4-iodophenyl)prop-2-en-1-one
CID 3472097
(E)-3-(2,3-dichlorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide
CID 9078066
N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 6133004
N-[(Z)-3-[4-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]anilino]-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 22787567

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-fluorobenzohydrazide?
The IUPAC name of N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-fluorobenzohydrazide (CID 9340429) is N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-fluorobenzohydrazide.
What is the SMILES notation for N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-fluorobenzohydrazide?
The canonical SMILES for N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-fluorobenzohydrazide is O=C(/C=C/c1cccc(Cl)c1Cl)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-fluorobenzohydrazide?
The InChIKey is WOQFJZSPEVLUPW-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H11Cl2FN2O2/c17-13-3-1-2-10(15(13)18)6-9-14(22)20-21-16(23)11-4-7-12(19)8-5-11/h1-9H,(H,20,22)(H,21,23)/b9-6+.
What are the key properties of N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-fluorobenzohydrazide?
N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-fluorobenzohydrazide has a molecular weight of 353.18 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-fluorobenzohydrazide is sourced from PubChem (CID 9340429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).