4-chloro-N'-(3,3-dimethylbutanoyl)benzohydrazide

C13H17ClN2O2 — CID 38768638

IUPAC4-chloro-N'-(3,3-dimethylbutanoyl)benzohydrazide
SMILESCC(C)(C)CC(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O2/c1-13(2,3)8-11(17)15-16-12(18)9-4-6-10(14)7-5-9/h4-7H,8H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyXZKVXLLAMVRRSB-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.54
Rot. Bonds2

About 4-chloro-N'-(3,3-dimethylbutanoyl)benzohydrazide

4-chloro-N'-(3,3-dimethylbutanoyl)benzohydrazide (PubChem CID 38768638) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 4-chloro-N'-(3,3-dimethylbutanoyl)benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-(3,3-dimethylbutanoyl)benzohydrazide
PubChem CID38768638
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name4-chloro-N'-(3,3-dimethylbutanoyl)benzohydrazide
SMILESCC(C)(C)CC(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O2/c1-13(2,3)8-11(17)15-16-12(18)9-4-6-10(14)7-5-9/h4-7H,8H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyXZKVXLLAMVRRSB-UHFFFAOYSA-N
XLogP2.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.54
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'-(3,3-dimethylbutanoyl)benzohydrazide
CID 24654425
N'-(3,3-dimethylbutanoyl)-4-methoxybenzohydrazide
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N'-(4-chlorobenzoyl)-4-propylbenzohydrazide
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N'-acetyl-4-chlorobenzohydrazide
CID 799230
N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide
CID 4936719
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methylpropanoate
CID 7782405
4-chloro-N'-[2-(2,4-dichlorophenyl)acetyl]benzohydrazide
CID 7971635
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-4-chlorobenzamide
CID 9414874
4-amino-N'-(4-chlorobenzoyl)benzohydrazide
CID 785216
N'-(3,3-dimethylbutanoyl)-4-(4-methylpiperazin-1-yl)sulfonylbenzohydrazide
CID 25478585
4-chloro-N'-(5,5-dimethyl-4-oxohex-2-en-2-yl)benzohydrazide
CID 4525468

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-(3,3-dimethylbutanoyl)benzohydrazide?
The IUPAC name of 4-chloro-N'-(3,3-dimethylbutanoyl)benzohydrazide (CID 38768638) is 4-chloro-N'-(3,3-dimethylbutanoyl)benzohydrazide.
What is the SMILES notation for 4-chloro-N'-(3,3-dimethylbutanoyl)benzohydrazide?
The canonical SMILES for 4-chloro-N'-(3,3-dimethylbutanoyl)benzohydrazide is CC(C)(C)CC(=O)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-(3,3-dimethylbutanoyl)benzohydrazide?
The InChIKey is XZKVXLLAMVRRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-13(2,3)8-11(17)15-16-12(18)9-4-6-10(14)7-5-9/h4-7H,8H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of 4-chloro-N'-(3,3-dimethylbutanoyl)benzohydrazide?
4-chloro-N'-(3,3-dimethylbutanoyl)benzohydrazide has a molecular weight of 268.74 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(3,3-dimethylbutanoyl)benzohydrazide is sourced from PubChem (CID 38768638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).