3-chloro-N',N'-dimethylbenzohydrazide

C9H11ClN2O — CID 828381

IUPAC3-chloro-N',N'-dimethylbenzohydrazide
SMILESCN(C)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C9H11ClN2O/c1-12(2)11-9(13)7-4-3-5-8(10)6-7/h3-6H,1-2H3,(H,11,13)
InChIKeyTYCFJYATYKRMJK-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.55
Rot. Bonds2

About 3-chloro-N',N'-dimethylbenzohydrazide

3-chloro-N',N'-dimethylbenzohydrazide (PubChem CID 828381) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 3-chloro-N',N'-dimethylbenzohydrazide.

Molecular Properties

Compound Name3-chloro-N',N'-dimethylbenzohydrazide
PubChem CID828381
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name3-chloro-N',N'-dimethylbenzohydrazide
SMILESCN(C)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C9H11ClN2O/c1-12(2)11-9(13)7-4-3-5-8(10)6-7/h3-6H,1-2H3,(H,11,13)
InChIKeyTYCFJYATYKRMJK-UHFFFAOYSA-N
XLogP1.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.55
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N',N'-dimethylbenzohydrazide?
The IUPAC name of 3-chloro-N',N'-dimethylbenzohydrazide (CID 828381) is 3-chloro-N',N'-dimethylbenzohydrazide.
What is the SMILES notation for 3-chloro-N',N'-dimethylbenzohydrazide?
The canonical SMILES for 3-chloro-N',N'-dimethylbenzohydrazide is CN(C)NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N',N'-dimethylbenzohydrazide?
The InChIKey is TYCFJYATYKRMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-12(2)11-9(13)7-4-3-5-8(10)6-7/h3-6H,1-2H3,(H,11,13).
What are the key properties of 3-chloro-N',N'-dimethylbenzohydrazide?
3-chloro-N',N'-dimethylbenzohydrazide has a molecular weight of 198.65 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N',N'-dimethylbenzohydrazide is sourced from PubChem (CID 828381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).