4-chloro-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide

C14H11ClN2O2S — CID 922928

IUPAC4-chloro-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
SMILESO=C(/C=C/c1cccs1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2O2S/c15-11-5-3-10(4-6-11)14(19)17-16-13(18)8-7-12-2-1-9-20-12/h1-9H,(H,16,18)(H,17,19)/b8-7+
InChIKeyKWNWXDKCTKHNQE-BQYQJAHWSA-N
MW306.77 g/mol
LogP2.88
Rot. Bonds3

About 4-chloro-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide

4-chloro-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide (PubChem CID 922928) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is 4-chloro-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
PubChem CID922928
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC Name4-chloro-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
SMILESO=C(/C=C/c1cccs1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2O2S/c15-11-5-3-10(4-6-11)14(19)17-16-13(18)8-7-12-2-1-9-20-12/h1-9H,(H,16,18)(H,17,19)/b8-7+
InChIKeyKWNWXDKCTKHNQE-BQYQJAHWSA-N
XLogP2.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 52.88
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

4-ethyl-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 8879645
(Z)-1-(4-chlorophenyl)-3-thiophen-2-ylprop-2-en-1-one
CID 92857757
4-chloro-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 959776
2-methyl-N-[4-[(3-thiophen-2-ylprop-2-enoylamino)carbamoyl]phenyl]benzamide
CID 3391223
N-[4-[[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 1416489
3,4,5-trimethoxy-N'-(3-thiophen-2-ylprop-2-enoyl)benzohydrazide
CID 1416483
N-[[(3-chlorobenzoyl)amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 5208020
4-chloro-N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]benzohydrazide
CID 6133133
4-ethoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 9439958
N-[[(2,4-dichlorobenzoyl)amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 5208021
4-butoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 9440087
[2-(4-chlorophenyl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 921834

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide (CID 922928) is 4-chloro-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide is O=C(/C=C/c1cccs1)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide?
The InChIKey is KWNWXDKCTKHNQE-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c15-11-5-3-10(4-6-11)14(19)17-16-13(18)8-7-12-2-1-9-20-12/h1-9H,(H,16,18)(H,17,19)/b8-7+.
What are the key properties of 4-chloro-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide?
4-chloro-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide has a molecular weight of 306.77 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide is sourced from PubChem (CID 922928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).