4-chloro-N'-(cyclobutanecarbonyl)benzohydrazide

C12H13ClN2O2 — CID 2666799

IUPAC4-chloro-N'-(cyclobutanecarbonyl)benzohydrazide
SMILESO=C(NNC(=O)C1CCC1)c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O2/c13-10-6-4-9(5-7-10)12(17)15-14-11(16)8-2-1-3-8/h4-8H,1-3H2,(H,14,16)(H,15,17)
InChIKeyQRILYCJVJCKSDZ-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.90
Rot. Bonds2

About 4-chloro-N'-(cyclobutanecarbonyl)benzohydrazide

4-chloro-N'-(cyclobutanecarbonyl)benzohydrazide (PubChem CID 2666799) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 4-chloro-N'-(cyclobutanecarbonyl)benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-(cyclobutanecarbonyl)benzohydrazide
PubChem CID2666799
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name4-chloro-N'-(cyclobutanecarbonyl)benzohydrazide
SMILESO=C(NNC(=O)C1CCC1)c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O2/c13-10-6-4-9(5-7-10)12(17)15-14-11(16)8-2-1-3-8/h4-8H,1-3H2,(H,14,16)(H,15,17)
InChIKeyQRILYCJVJCKSDZ-UHFFFAOYSA-N
XLogP1.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]cyclopentanecarboxamide
CID 46450538
4-[[(4-chlorobenzoyl)amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide
CID 55646263
1-(4-chlorophenyl)sulfonyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carbohydrazide
CID 3192879
N'-(cyclohexanecarbonyl)-4-propan-2-ylbenzohydrazide
CID 17177548
N'-(cyclohexanecarbonyl)pyridine-4-carbohydrazide
CID 782647
N'-(4-chlorobenzoyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbohydrazide
CID 3223274
N'-(4-chlorobenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide
CID 46407573
N'-acetyl-4-chlorobenzohydrazide
CID 799230
N'-[2-(4-chlorophenyl)acetyl]cyclopentanecarbohydrazide
CID 26657650
(1S,2R,3R,4S)-3-[[(4-chlorobenzoyl)amino]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 51007728
N'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carbohydrazide
CID 55511757
N'-(cyclopropanecarbonyl)-4-phenylbenzohydrazide
CID 833146

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-(cyclobutanecarbonyl)benzohydrazide?
The IUPAC name of 4-chloro-N'-(cyclobutanecarbonyl)benzohydrazide (CID 2666799) is 4-chloro-N'-(cyclobutanecarbonyl)benzohydrazide.
What is the SMILES notation for 4-chloro-N'-(cyclobutanecarbonyl)benzohydrazide?
The canonical SMILES for 4-chloro-N'-(cyclobutanecarbonyl)benzohydrazide is O=C(NNC(=O)C1CCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-(cyclobutanecarbonyl)benzohydrazide?
The InChIKey is QRILYCJVJCKSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c13-10-6-4-9(5-7-10)12(17)15-14-11(16)8-2-1-3-8/h4-8H,1-3H2,(H,14,16)(H,15,17).
What are the key properties of 4-chloro-N'-(cyclobutanecarbonyl)benzohydrazide?
4-chloro-N'-(cyclobutanecarbonyl)benzohydrazide has a molecular weight of 252.70 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(cyclobutanecarbonyl)benzohydrazide is sourced from PubChem (CID 2666799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).