4-chloro-N'-prop-2-enoylbenzohydrazide

C10H9ClN2O2 — CID 101094215

IUPAC4-chloro-N'-prop-2-enoylbenzohydrazide
SMILESC=CC(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN2O2/c1-2-9(14)12-13-10(15)7-3-5-8(11)6-4-7/h2-6H,1H2,(H,12,14)(H,13,15)
InChIKeyLYSSICUUHGRFMR-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.29
Rot. Bonds2

About 4-chloro-N'-prop-2-enoylbenzohydrazide

4-chloro-N'-prop-2-enoylbenzohydrazide (PubChem CID 101094215) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 4-chloro-N'-prop-2-enoylbenzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-prop-2-enoylbenzohydrazide
PubChem CID101094215
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name4-chloro-N'-prop-2-enoylbenzohydrazide
SMILESC=CC(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN2O2/c1-2-9(14)12-13-10(15)7-3-5-8(11)6-4-7/h2-6H,1H2,(H,12,14)(H,13,15)
InChIKeyLYSSICUUHGRFMR-UHFFFAOYSA-N
XLogP1.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.29
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-[4-(prop-2-enoylamino)phenyl]benzamide
CID 166410938
N'-(4-chlorobenzoyl)pyridine-4-carbohydrazide
CID 960057
N'-acetyl-4-chlorobenzohydrazide
CID 799230
4-amino-N'-(4-chlorobenzoyl)benzohydrazide
CID 785216
1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide
CID 3361883
4-chloro-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 959776
N'-[1-(4-chlorophenyl)ethenyl]-4-hydroxybenzohydrazide
CID 2456682
N'-(4-chlorobenzoyl)-4-pyridin-4-ylbenzohydrazide
CID 58858336
4-chloro-N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]benzohydrazide
CID 6133133
4-chloro-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 922928
2-N',6-N'-bis(4-chlorobenzoyl)pyridine-2,6-dicarbohydrazide
CID 43063875
4-chloro-N-hydroxybenzamide
CID 587178

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-prop-2-enoylbenzohydrazide?
The IUPAC name of 4-chloro-N'-prop-2-enoylbenzohydrazide (CID 101094215) is 4-chloro-N'-prop-2-enoylbenzohydrazide.
What is the SMILES notation for 4-chloro-N'-prop-2-enoylbenzohydrazide?
The canonical SMILES for 4-chloro-N'-prop-2-enoylbenzohydrazide is C=CC(=O)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-prop-2-enoylbenzohydrazide?
The InChIKey is LYSSICUUHGRFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-2-9(14)12-13-10(15)7-3-5-8(11)6-4-7/h2-6H,1H2,(H,12,14)(H,13,15).
What are the key properties of 4-chloro-N'-prop-2-enoylbenzohydrazide?
4-chloro-N'-prop-2-enoylbenzohydrazide has a molecular weight of 224.65 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-prop-2-enoylbenzohydrazide is sourced from PubChem (CID 101094215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).