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

C16H13ClN2O2 — CID 959776

IUPAC4-chloro-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
SMILESO=C(/C=C/c1ccccc1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O2/c17-14-9-7-13(8-10-14)16(21)19-18-15(20)11-6-12-4-2-1-3-5-12/h1-11H,(H,18,20)(H,19,21)/b11-6+
InChIKeyVAWODOLMIKQVOZ-IZZDOVSWSA-N
MW300.75 g/mol
LogP2.81
Rot. Bonds3

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

4-chloro-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide (PubChem CID 959776) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 4-chloro-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
PubChem CID959776
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name4-chloro-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
SMILESO=C(/C=C/c1ccccc1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O2/c17-14-9-7-13(8-10-14)16(21)19-18-15(20)11-6-12-4-2-1-3-5-12/h1-11H,(H,18,20)(H,19,21)/b11-6+
InChIKeyVAWODOLMIKQVOZ-IZZDOVSWSA-N
XLogP2.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.81
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

3-chloro-N'-[(Z)-3-phenylprop-2-enoyl]benzohydrazide
CID 2166903
4-tert-butyl-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 923514
4-chloro-N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]benzohydrazide
CID 6133133
1-[(4-chlorobenzoyl)amino]-3-[(E)-2-phenylethenyl]urea
CID 71769328
4-chloro-N'-[3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl]benzohydrazide
CID 2741847
4-phenylmethoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 6234109
N-[4-[[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]propanamide
CID 17195562
4-tert-butyl-N-[4-[[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]benzamide
CID 17195607
4-chloro-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 922928
N-[4-[[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 17195599
N'-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]benzohydrazide
CID 9414855
4-[(E)-3-[2-(2-chlorobenzoyl)hydrazinyl]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134061962

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide (CID 959776) is 4-chloro-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide is O=C(/C=C/c1ccccc1)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide?
The InChIKey is VAWODOLMIKQVOZ-IZZDOVSWSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-14-9-7-13(8-10-14)16(21)19-18-15(20)11-6-12-4-2-1-3-5-12/h1-11H,(H,18,20)(H,19,21)/b11-6+.
What are the key properties of 4-chloro-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide?
4-chloro-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide has a molecular weight of 300.75 g/mol, XLogP of 2.81, 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-phenylprop-2-enoyl]benzohydrazide is sourced from PubChem (CID 959776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).