N'-[(4-chlorophenyl)methyl]acetohydrazide

C9H11ClN2O — CID 19882096

IUPACN'-[(4-chlorophenyl)methyl]acetohydrazide
SMILESCC(=O)NNCc1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN2O/c1-7(13)12-11-6-8-2-4-9(10)5-3-8/h2-5,11H,6H2,1H3,(H,12,13)
InChIKeyATLBAQMTBDNWKT-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.48
Rot. Bonds3

About N'-[(4-chlorophenyl)methyl]acetohydrazide

N'-[(4-chlorophenyl)methyl]acetohydrazide (PubChem CID 19882096) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)methyl]acetohydrazide.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)methyl]acetohydrazide
PubChem CID19882096
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC NameN'-[(4-chlorophenyl)methyl]acetohydrazide
SMILESCC(=O)NNCc1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN2O/c1-7(13)12-11-6-8-2-4-9(10)5-3-8/h2-5,11H,6H2,1H3,(H,12,13)
InChIKeyATLBAQMTBDNWKT-UHFFFAOYSA-N
XLogP1.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.48
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'-butyl-4-chlorobenzohydrazide
CID 54316037
3-(4-Chlorophenyl)-1H-pyrazol-5-ol
CID 606590
2-(4-Chlorophenyl)acetohydrazide
CID 456734
2-(4'-Chlorophenyl)-allyl hydrazine hydrochloride
CID 11644220
1-[(4-Chlorophenyl)methyl]pyrazolidin-3-one
CID 1473556
((4-Chlorophenyl)methyl)hydrazine hydrochloride
CID 3058470
1-(p-Chlorobenzoyl)-2-isopropylhydrazine
CID 88063
Acetic acid, 2-(alpha-methylbenzyl)hydrazide
CID 19875
4-chloro-N'-(3-methylbutanoyl)benzohydrazide
CID 3139682
p-Chlorocinnamic acid hydrazide
CID 5891573
5-(4-Chloro-phenyl)-2-methyl-2H-pyrazol-3-ol
CID 23150870
n'-Benzylacetohydrazide
CID 250611

Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorophenyl)methyl]acetohydrazide?
The IUPAC name of N'-[(4-chlorophenyl)methyl]acetohydrazide (CID 19882096) is N'-[(4-chlorophenyl)methyl]acetohydrazide.
What is the SMILES notation for N'-[(4-chlorophenyl)methyl]acetohydrazide?
The canonical SMILES for N'-[(4-chlorophenyl)methyl]acetohydrazide is CC(=O)NNCc1ccc(Cl)cc1.
What is the InChIKey of N'-[(4-chlorophenyl)methyl]acetohydrazide?
The InChIKey is ATLBAQMTBDNWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-7(13)12-11-6-8-2-4-9(10)5-3-8/h2-5,11H,6H2,1H3,(H,12,13).
What are the key properties of N'-[(4-chlorophenyl)methyl]acetohydrazide?
N'-[(4-chlorophenyl)methyl]acetohydrazide has a molecular weight of 198.65 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorophenyl)methyl]acetohydrazide is sourced from PubChem (CID 19882096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).