N'-acetyl-4-chlorobenzohydrazide

C9H9ClN2O2 — CID 799230

IUPACN'-acetyl-4-chlorobenzohydrazide
SMILESCC(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClN2O2/c1-6(13)11-12-9(14)7-2-4-8(10)5-3-7/h2-5H,1H3,(H,11,13)(H,12,14)
InChIKeyQGBZAMHUFINYCY-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.12
Rot. Bonds1

About N'-acetyl-4-chlorobenzohydrazide

N'-acetyl-4-chlorobenzohydrazide (PubChem CID 799230) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is N'-acetyl-4-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-acetyl-4-chlorobenzohydrazide
PubChem CID799230
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC NameN'-acetyl-4-chlorobenzohydrazide
SMILESCC(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClN2O2/c1-6(13)11-12-9(14)7-2-4-8(10)5-3-7/h2-5H,1H3,(H,11,13)(H,12,14)
InChIKeyQGBZAMHUFINYCY-UHFFFAOYSA-N
XLogP1.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.12
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-acetyl-4-chlorobenzamide
CID 11735747
N-[4-[[(4-chlorophenyl)carbamoylamino]carbamoyl]phenyl]acetamide
CID 910323
4-amino-N'-(4-chlorobenzoyl)benzohydrazide
CID 785216
N'-(4-chlorobenzoyl)pyridine-4-carbohydrazide
CID 960057
N'-(4-chlorobenzoyl)-4-propylbenzohydrazide
CID 765467
4-chloro-N-propan-2-ylbenzamide
CID 24045
1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide
CID 3361883
4-chloro-N'-prop-2-enoylbenzohydrazide
CID 101094215
4-chloro-N'-(5,5-dimethyl-4-oxohex-2-en-2-yl)benzohydrazide
CID 4525468
N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 959739
N'-(4-chlorobenzoyl)-2-methylbenzohydrazide
CID 795258
4-chloro-N'-(cyclobutanecarbonyl)benzohydrazide
CID 2666799

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-4-chlorobenzohydrazide?
The IUPAC name of N'-acetyl-4-chlorobenzohydrazide (CID 799230) is N'-acetyl-4-chlorobenzohydrazide.
What is the SMILES notation for N'-acetyl-4-chlorobenzohydrazide?
The canonical SMILES for N'-acetyl-4-chlorobenzohydrazide is CC(=O)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N'-acetyl-4-chlorobenzohydrazide?
The InChIKey is QGBZAMHUFINYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c1-6(13)11-12-9(14)7-2-4-8(10)5-3-7/h2-5H,1H3,(H,11,13)(H,12,14).
What are the key properties of N'-acetyl-4-chlorobenzohydrazide?
N'-acetyl-4-chlorobenzohydrazide has a molecular weight of 212.64 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-4-chlorobenzohydrazide is sourced from PubChem (CID 799230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).