2-(2-chloroanilino)acetohydrazide;hydrochloride

C8H11Cl2N3O — CID 131089719

IUPAC2-(2-chloroanilino)acetohydrazide;hydrochloride
SMILESCl.NNC(=O)CNc1ccccc1Cl
InChIInChI=1S/C8H10ClN3O.ClH/c9-6-3-1-2-4-7(6)11-5-8(13)12-10;/h1-4,11H,5,10H2,(H,12,13);1H
InChIKeyRKEMHVGLXZPIQV-UHFFFAOYSA-N
MW236.10 g/mol
LogP1.16
Rot. Bonds3

About 2-(2-chloroanilino)acetohydrazide;hydrochloride

2-(2-chloroanilino)acetohydrazide;hydrochloride (PubChem CID 131089719) has the molecular formula C8H11Cl2N3O and a molecular weight of 236.10 g/mol. Its IUPAC name is 2-(2-chloroanilino)acetohydrazide;hydrochloride.

Molecular Properties

Compound Name2-(2-chloroanilino)acetohydrazide;hydrochloride
PubChem CID131089719
Molecular FormulaC8H11Cl2N3O
Molecular Weight236.10 g/mol
Exact Mass235.03
IUPAC Name2-(2-chloroanilino)acetohydrazide;hydrochloride
SMILESCl.NNC(=O)CNc1ccccc1Cl
InChIInChI=1S/C8H10ClN3O.ClH/c9-6-3-1-2-4-7(6)11-5-8(13)12-10;/h1-4,11H,5,10H2,(H,12,13);1H
InChIKeyRKEMHVGLXZPIQV-UHFFFAOYSA-N
XLogP1.16
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.10
LogP ≤ 51.16
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

2-(2-methylanilino)acetohydrazide
CID 730478
2-(2-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54810505
[2-(2-chloroanilino)acetyl] 2-(2-chloroanilino)acetate
CID 175490190
2-(2-chloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9098705
N-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]propanamide
CID 54810223
3-[[2-(2-chloroanilino)acetyl]amino]benzamide
CID 54810533
N-[3-[[2-(2-chloroanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54810419
2-amino-N-(2-chlorophenyl)acetamide;hydrochloride
CID 51051964
N-[(Z)-benzylideneamino]-2-(2-chloroanilino)acetamide
CID 5427716
N-[4-[[2-(2-chloroanilino)acetyl]amino]phenyl]butanamide
CID 54810199
2-(2-chloroanilino)-N-[(1R)-1-cyanopropyl]acetamide
CID 94796731
2-(2-chloroanilino)-N-(4-phenoxyphenyl)acetamide
CID 54810461

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)acetohydrazide;hydrochloride?
The IUPAC name of 2-(2-chloroanilino)acetohydrazide;hydrochloride (CID 131089719) is 2-(2-chloroanilino)acetohydrazide;hydrochloride.
What is the SMILES notation for 2-(2-chloroanilino)acetohydrazide;hydrochloride?
The canonical SMILES for 2-(2-chloroanilino)acetohydrazide;hydrochloride is Cl.NNC(=O)CNc1ccccc1Cl.
What is the InChIKey of 2-(2-chloroanilino)acetohydrazide;hydrochloride?
The InChIKey is RKEMHVGLXZPIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O.ClH/c9-6-3-1-2-4-7(6)11-5-8(13)12-10;/h1-4,11H,5,10H2,(H,12,13);1H.
What are the key properties of 2-(2-chloroanilino)acetohydrazide;hydrochloride?
2-(2-chloroanilino)acetohydrazide;hydrochloride has a molecular weight of 236.10 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)acetohydrazide;hydrochloride is sourced from PubChem (CID 131089719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).