2-chloro-N'-(2,2-dimethylpropanoyl)benzohydrazide

C12H15ClN2O2 — CID 4927487

IUPAC2-chloro-N'-(2,2-dimethylpropanoyl)benzohydrazide
SMILESCC(C)(C)C(=O)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C12H15ClN2O2/c1-12(2,3)11(17)15-14-10(16)8-6-4-5-7-9(8)13/h4-7H,1-3H3,(H,14,16)(H,15,17)
InChIKeyKHLGZTOVRGEPPQ-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.15
Rot. Bonds1

About 2-chloro-N'-(2,2-dimethylpropanoyl)benzohydrazide

2-chloro-N'-(2,2-dimethylpropanoyl)benzohydrazide (PubChem CID 4927487) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-chloro-N'-(2,2-dimethylpropanoyl)benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-(2,2-dimethylpropanoyl)benzohydrazide
PubChem CID4927487
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-chloro-N'-(2,2-dimethylpropanoyl)benzohydrazide
SMILESCC(C)(C)C(=O)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C12H15ClN2O2/c1-12(2,3)11(17)15-14-10(16)8-6-4-5-7-9(8)13/h4-7H,1-3H3,(H,14,16)(H,15,17)
InChIKeyKHLGZTOVRGEPPQ-UHFFFAOYSA-N
XLogP2.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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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Related Compounds

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CID 24654376
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N'-(2,2-dimethylpropanoyl)-2-phenoxybenzohydrazide
CID 11045196
2-chloro-N-(3,3-dimethyl-2-oxobutyl)benzamide
CID 64991561
N'-(2,2-dimethylpropanoyl)-2-phenylmethoxybenzohydrazide
CID 4938113
2-chloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 2712046
2-chloro-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide
CID 35932014
3-[(2-chlorobenzoyl)amino]-1,1-diethylurea
CID 14173554
N'-(2-chlorobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide
CID 51148209
2-chloro-N-(3,3-dimethylbutan-2-ylideneamino)benzamide
CID 691089
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CID 904342

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(2,2-dimethylpropanoyl)benzohydrazide?
The IUPAC name of 2-chloro-N'-(2,2-dimethylpropanoyl)benzohydrazide (CID 4927487) is 2-chloro-N'-(2,2-dimethylpropanoyl)benzohydrazide.
What is the SMILES notation for 2-chloro-N'-(2,2-dimethylpropanoyl)benzohydrazide?
The canonical SMILES for 2-chloro-N'-(2,2-dimethylpropanoyl)benzohydrazide is CC(C)(C)C(=O)NNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N'-(2,2-dimethylpropanoyl)benzohydrazide?
The InChIKey is KHLGZTOVRGEPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-12(2,3)11(17)15-14-10(16)8-6-4-5-7-9(8)13/h4-7H,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 2-chloro-N'-(2,2-dimethylpropanoyl)benzohydrazide?
2-chloro-N'-(2,2-dimethylpropanoyl)benzohydrazide has a molecular weight of 254.72 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(2,2-dimethylpropanoyl)benzohydrazide is sourced from PubChem (CID 4927487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).