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

C16H12Cl2N2O2 — CID 6133133

IUPAC4-chloro-N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]benzohydrazide
SMILESO=C(/C=C/c1ccccc1Cl)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl2N2O2/c17-13-8-5-12(6-9-13)16(22)20-19-15(21)10-7-11-3-1-2-4-14(11)18/h1-10H,(H,19,21)(H,20,22)/b10-7+
InChIKeyAHSZKLSGAWYJSJ-JXMROGBWSA-N
MW335.19 g/mol
LogP3.47
Rot. Bonds3

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

4-chloro-N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]benzohydrazide (PubChem CID 6133133) has the molecular formula C16H12Cl2N2O2 and a molecular weight of 335.19 g/mol. Its IUPAC name is 4-chloro-N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]benzohydrazide
PubChem CID6133133
Molecular FormulaC16H12Cl2N2O2
Molecular Weight335.19 g/mol
Exact Mass334.03
IUPAC Name4-chloro-N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]benzohydrazide
SMILESO=C(/C=C/c1ccccc1Cl)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl2N2O2/c17-13-8-5-12(6-9-13)16(22)20-19-15(21)10-7-11-3-1-2-4-14(11)18/h1-10H,(H,19,21)(H,20,22)/b10-7+
InChIKeyAHSZKLSGAWYJSJ-JXMROGBWSA-N
XLogP3.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.47
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'-[3-(2-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 4628576
N-[4-[[3-(2-chlorophenyl)prop-2-enoylamino]carbamoyl]phenyl]acetamide
CID 4506938
4-chloro-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 959776
N'-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]benzohydrazide
CID 9414855
N-[4-[[3-(2-chlorophenyl)prop-2-enoylamino]carbamoyl]phenyl]-3-methylbutanamide
CID 4507600
N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-fluorobenzohydrazide
CID 9340429
N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 6133004
5-chloro-N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-methoxybenzohydrazide
CID 24636069
4-chloro-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 922928
N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-pyrrol-1-ylbenzohydrazide
CID 9314013
(E)-N-[[(4-chlorobenzoyl)amino]carbamothioyl]-3-(2,4-dichlorophenyl)prop-2-enamide
CID 6126200
2-chloro-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide
CID 9339631

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]benzohydrazide (CID 6133133) is 4-chloro-N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]benzohydrazide is O=C(/C=C/c1ccccc1Cl)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]benzohydrazide?
The InChIKey is AHSZKLSGAWYJSJ-JXMROGBWSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2/c17-13-8-5-12(6-9-13)16(22)20-19-15(21)10-7-11-3-1-2-4-14(11)18/h1-10H,(H,19,21)(H,20,22)/b10-7+.
What are the key properties of 4-chloro-N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]benzohydrazide?
4-chloro-N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]benzohydrazide has a molecular weight of 335.19 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 6133133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).