2-(4-chloroanilino)propanehydrazide

C9H12ClN3O — CID 5210680

IUPAC2-(4-chloroanilino)propanehydrazide
SMILESCC(Nc1ccc(Cl)cc1)C(=O)NN
InChIInChI=1S/C9H12ClN3O/c1-6(9(14)13-11)12-8-4-2-7(10)3-5-8/h2-6,12H,11H2,1H3,(H,13,14)
InChIKeyKDGOMNYOAFIEOI-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.13
Rot. Bonds3

About 2-(4-chloroanilino)propanehydrazide

2-(4-chloroanilino)propanehydrazide (PubChem CID 5210680) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 2-(4-chloroanilino)propanehydrazide.

Molecular Properties

Compound Name2-(4-chloroanilino)propanehydrazide
PubChem CID5210680
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name2-(4-chloroanilino)propanehydrazide
SMILESCC(Nc1ccc(Cl)cc1)C(=O)NN
InChIInChI=1S/C9H12ClN3O/c1-6(9(14)13-11)12-8-4-2-7(10)3-5-8/h2-6,12H,11H2,1H3,(H,13,14)
InChIKeyKDGOMNYOAFIEOI-UHFFFAOYSA-N
XLogP1.13
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N1-(3,4-dichlorophenyl)-2-hydrazino-2-oxoacetamide
CID 2818703
1-(4-Chlorophenyl)pyrazolidin-3-one
CID 2801550
Phenylaminoacetohydrazide
CID 317734
N-(4-Chloro-phenyl)-2-(cyclohexyl-methyl-amino)-acetamide
CID 788650
N-(4-chlorophenyl)-2-(2-oxo-1-pyrrolidinyl)butanamide
CID 4120877
2-(2-Chloroanilino)acetohydrazide
CID 302653
5-((3,5-Dichlorophenylamino)methyl)-1H-pyrazol-3(2H)-one
CID 58453271
5-[(4-chloro-N-methylanilino)methyl]-1,2-dihydropyrazol-3-one
CID 71601102
5-[(3,4-dichloro-N-methylanilino)methyl]-1,2-dihydropyrazol-3-one
CID 71601243
5-[(2,4-dichloro-N-methylanilino)methyl]-1,2-dihydropyrazol-3-one
CID 71601244
5-[(3,5-dichloro-N-propan-2-ylanilino)methyl]-1,2-dihydropyrazol-3-one
CID 71601246
(3-Chloro-phenylamino)-acetic acid hydrazide
CID 302652

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)propanehydrazide?
The IUPAC name of 2-(4-chloroanilino)propanehydrazide (CID 5210680) is 2-(4-chloroanilino)propanehydrazide.
What is the SMILES notation for 2-(4-chloroanilino)propanehydrazide?
The canonical SMILES for 2-(4-chloroanilino)propanehydrazide is CC(Nc1ccc(Cl)cc1)C(=O)NN.
What is the InChIKey of 2-(4-chloroanilino)propanehydrazide?
The InChIKey is KDGOMNYOAFIEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-6(9(14)13-11)12-8-4-2-7(10)3-5-8/h2-6,12H,11H2,1H3,(H,13,14).
What are the key properties of 2-(4-chloroanilino)propanehydrazide?
2-(4-chloroanilino)propanehydrazide has a molecular weight of 213.67 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)propanehydrazide is sourced from PubChem (CID 5210680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).