2-amino-2-(4-chlorophenyl)-N-methylacetohydrazide

C9H12ClN3O — CID 116848886

IUPAC2-amino-2-(4-chlorophenyl)-N-methylacetohydrazide
SMILESCN(N)C(=O)C(N)c1ccc(Cl)cc1
InChIInChI=1S/C9H12ClN3O/c1-13(12)9(14)8(11)6-2-4-7(10)5-3-6/h2-5,8H,11-12H2,1H3
InChIKeyHDJPPBCESCUQHC-UHFFFAOYSA-N
MW213.67 g/mol
LogP0.67
Rot. Bonds2

About 2-amino-2-(4-chlorophenyl)-N-methylacetohydrazide

2-amino-2-(4-chlorophenyl)-N-methylacetohydrazide (PubChem CID 116848886) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 2-amino-2-(4-chlorophenyl)-N-methylacetohydrazide.

Molecular Properties

Compound Name2-amino-2-(4-chlorophenyl)-N-methylacetohydrazide
PubChem CID116848886
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name2-amino-2-(4-chlorophenyl)-N-methylacetohydrazide
SMILESCN(N)C(=O)C(N)c1ccc(Cl)cc1
InChIInChI=1S/C9H12ClN3O/c1-13(12)9(14)8(11)6-2-4-7(10)5-3-6/h2-5,8H,11-12H2,1H3
InChIKeyHDJPPBCESCUQHC-UHFFFAOYSA-N
XLogP0.67
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 50.67
H-Bond Donors ≤ 52
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-amino-2-(4-fluorophenyl)-N-methylacetohydrazide
CID 116848885
ethyl (2R)-2-amino-2-(4-chlorophenyl)acetate
CID 31882254
ethyl (2S)-2-amino-2-(4-chlorophenyl)acetate
CID 31882253
potassium (2S)-2-amino-2-(4-chlorophenyl)acetate
CID 101446310
2-amino-2-(6-methoxynaphthalen-2-yl)-N-methylacetohydrazide
CID 116849020
2-amino-2-(2,5-difluorophenyl)-N-methylacetohydrazide
CID 116848922
2-amino-2-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methylacetamide
CID 166270569
(2R)-2-amino-N-[1-(4-chlorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 103929186
(2S)-2-amino-N,N-dimethyl-2-phenylacetamide
CID 11263835
2-(2,4-dichlorophenyl)-N-methylpropanehydrazide
CID 116845828
(2S)-2-amino-2-(4-tert-butylphenyl)-N,N-dimethylacetamide
CID 95180326
2-(4-chlorophenyl)-N,N,3-trimethylbutanamide
CID 60653268

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-chlorophenyl)-N-methylacetohydrazide?
The IUPAC name of 2-amino-2-(4-chlorophenyl)-N-methylacetohydrazide (CID 116848886) is 2-amino-2-(4-chlorophenyl)-N-methylacetohydrazide.
What is the SMILES notation for 2-amino-2-(4-chlorophenyl)-N-methylacetohydrazide?
The canonical SMILES for 2-amino-2-(4-chlorophenyl)-N-methylacetohydrazide is CN(N)C(=O)C(N)c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-2-(4-chlorophenyl)-N-methylacetohydrazide?
The InChIKey is HDJPPBCESCUQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-13(12)9(14)8(11)6-2-4-7(10)5-3-6/h2-5,8H,11-12H2,1H3.
What are the key properties of 2-amino-2-(4-chlorophenyl)-N-methylacetohydrazide?
2-amino-2-(4-chlorophenyl)-N-methylacetohydrazide has a molecular weight of 213.67 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-chlorophenyl)-N-methylacetohydrazide is sourced from PubChem (CID 116848886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).