4-chloro-N'-(3-methylbutanoyl)benzohydrazide

C12H15ClN2O2 — CID 3139682

IUPAC4-chloro-N'-(3-methylbutanoyl)benzohydrazide
SMILESCC(C)CC(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O2/c1-8(2)7-11(16)14-15-12(17)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyHSBKXBAUKZTWQT-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.15
Rot. Bonds3

About 4-chloro-N'-(3-methylbutanoyl)benzohydrazide

4-chloro-N'-(3-methylbutanoyl)benzohydrazide (PubChem CID 3139682) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 4-chloro-N'-(3-methylbutanoyl)benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-(3-methylbutanoyl)benzohydrazide
PubChem CID3139682
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name4-chloro-N'-(3-methylbutanoyl)benzohydrazide
SMILESCC(C)CC(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O2/c1-8(2)7-11(16)14-15-12(17)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyHSBKXBAUKZTWQT-UHFFFAOYSA-N
XLogP2.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.15
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-(3-methylbutanoyl)benzohydrazide?
The IUPAC name of 4-chloro-N'-(3-methylbutanoyl)benzohydrazide (CID 3139682) is 4-chloro-N'-(3-methylbutanoyl)benzohydrazide.
What is the SMILES notation for 4-chloro-N'-(3-methylbutanoyl)benzohydrazide?
The canonical SMILES for 4-chloro-N'-(3-methylbutanoyl)benzohydrazide is CC(C)CC(=O)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-(3-methylbutanoyl)benzohydrazide?
The InChIKey is HSBKXBAUKZTWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-8(2)7-11(16)14-15-12(17)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 4-chloro-N'-(3-methylbutanoyl)benzohydrazide?
4-chloro-N'-(3-methylbutanoyl)benzohydrazide has a molecular weight of 254.72 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(3-methylbutanoyl)benzohydrazide is sourced from PubChem (CID 3139682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).