3-chloro-N'-(4-prop-2-enoxybenzoyl)benzohydrazide

C17H15ClN2O3 — CID 4926011

IUPAC3-chloro-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
SMILESC=CCOc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H15ClN2O3/c1-2-10-23-15-8-6-12(7-9-15)16(21)19-20-17(22)13-4-3-5-14(18)11-13/h2-9,11H,1,10H2,(H,19,21)(H,20,22)
InChIKeyOZFGGCSMZZUWNV-UHFFFAOYSA-N
MW330.77 g/mol
LogP2.98
Rot. Bonds5

About 3-chloro-N'-(4-prop-2-enoxybenzoyl)benzohydrazide

3-chloro-N'-(4-prop-2-enoxybenzoyl)benzohydrazide (PubChem CID 4926011) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 3-chloro-N'-(4-prop-2-enoxybenzoyl)benzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
PubChem CID4926011
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name3-chloro-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
SMILESC=CCOc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H15ClN2O3/c1-2-10-23-15-8-6-12(7-9-15)16(21)19-20-17(22)13-4-3-5-14(18)11-13/h2-9,11H,1,10H2,(H,19,21)(H,20,22)
InChIKeyOZFGGCSMZZUWNV-UHFFFAOYSA-N
XLogP2.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-phenoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 4955159
N'-(4-butoxybenzoyl)-3-chlorobenzohydrazide
CID 9475751
3-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 94847752
3-butan-2-yloxy-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 17149945
N'-(4-bromobenzoyl)-4-prop-2-enoxybenzohydrazide
CID 54790852
3-(2-ethoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 17139786
1-N',9-N'-bis(4-prop-2-enoxybenzoyl)nonanedihydrazide
CID 4926340
3-chloro-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide
CID 11349148
3-chloro-N'-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]benzohydrazide
CID 2108807
N'-(4-propan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
CID 4952150
N-(4-methoxyphenyl)-3-[[(4-prop-2-enoxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 30828589
N'-(2-naphthalen-1-ylacetyl)-4-prop-2-enoxybenzohydrazide
CID 4925965

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-(4-prop-2-enoxybenzoyl)benzohydrazide?
The IUPAC name of 3-chloro-N'-(4-prop-2-enoxybenzoyl)benzohydrazide (CID 4926011) is 3-chloro-N'-(4-prop-2-enoxybenzoyl)benzohydrazide.
What is the SMILES notation for 3-chloro-N'-(4-prop-2-enoxybenzoyl)benzohydrazide?
The canonical SMILES for 3-chloro-N'-(4-prop-2-enoxybenzoyl)benzohydrazide is C=CCOc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N'-(4-prop-2-enoxybenzoyl)benzohydrazide?
The InChIKey is OZFGGCSMZZUWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-2-10-23-15-8-6-12(7-9-15)16(21)19-20-17(22)13-4-3-5-14(18)11-13/h2-9,11H,1,10H2,(H,19,21)(H,20,22).
What are the key properties of 3-chloro-N'-(4-prop-2-enoxybenzoyl)benzohydrazide?
3-chloro-N'-(4-prop-2-enoxybenzoyl)benzohydrazide has a molecular weight of 330.77 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-(4-prop-2-enoxybenzoyl)benzohydrazide is sourced from PubChem (CID 4926011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).