2-amino-2-(5-chloro-2-methoxy-3-methylphenyl)acetohydrazide

C10H14ClN3O2 — CID 116848462

IUPAC2-amino-2-(5-chloro-2-methoxy-3-methylphenyl)acetohydrazide
SMILESCOc1c(C)cc(Cl)cc1C(N)C(=O)NN
InChIInChI=1S/C10H14ClN3O2/c1-5-3-6(11)4-7(9(5)16-2)8(12)10(15)14-13/h3-4,8H,12-13H2,1-2H3,(H,14,15)
InChIKeyVNKLPSZGWYGMIP-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.65
Rot. Bonds3

About 2-amino-2-(5-chloro-2-methoxy-3-methylphenyl)acetohydrazide

2-amino-2-(5-chloro-2-methoxy-3-methylphenyl)acetohydrazide (PubChem CID 116848462) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-amino-2-(5-chloro-2-methoxy-3-methylphenyl)acetohydrazide.

Molecular Properties

Compound Name2-amino-2-(5-chloro-2-methoxy-3-methylphenyl)acetohydrazide
PubChem CID116848462
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name2-amino-2-(5-chloro-2-methoxy-3-methylphenyl)acetohydrazide
SMILESCOc1c(C)cc(Cl)cc1C(N)C(=O)NN
InChIInChI=1S/C10H14ClN3O2/c1-5-3-6(11)4-7(9(5)16-2)8(12)10(15)14-13/h3-4,8H,12-13H2,1-2H3,(H,14,15)
InChIKeyVNKLPSZGWYGMIP-UHFFFAOYSA-N
XLogP0.65
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

(5-chloro-2-methoxy-3-methylphenyl)-hydrazinylmethanamine
CID 116947459
2-amino-2-(2,5-dimethoxy-3,4-dimethylphenyl)acetohydrazide
CID 116848546
amino-(5-chloro-2-methoxy-3-methylphenyl)methanethiol
CID 116939486
2-amino-2-(4-methoxy-2,5-dimethylphenyl)acetohydrazide
CID 116848433
3-(5-chloro-2-methoxy-3-methylphenyl)butanoic acid
CID 82293511
(E)-4-(5-chloro-2-methoxy-3-methylphenyl)-4-(methylamino)but-2-enoic acid
CID 116956330
5-(5-chloro-2-methoxy-3-methylphenyl)hexanoic acid
CID 112512992
5-chloro-2-methoxy-3-methyl-N-propan-2-ylbenzamide
CID 110762952
methyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate
CID 117329439
2-amino-2-(2,5-dimethoxy-3,4-dimethylphenyl)-N-methylacetamide
CID 116850472
methyl 3-amino-3-(2-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanoate
CID 116940300
2-amino-2-(2-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide
CID 116848944

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-chloro-2-methoxy-3-methylphenyl)acetohydrazide?
The IUPAC name of 2-amino-2-(5-chloro-2-methoxy-3-methylphenyl)acetohydrazide (CID 116848462) is 2-amino-2-(5-chloro-2-methoxy-3-methylphenyl)acetohydrazide.
What is the SMILES notation for 2-amino-2-(5-chloro-2-methoxy-3-methylphenyl)acetohydrazide?
The canonical SMILES for 2-amino-2-(5-chloro-2-methoxy-3-methylphenyl)acetohydrazide is COc1c(C)cc(Cl)cc1C(N)C(=O)NN.
What is the InChIKey of 2-amino-2-(5-chloro-2-methoxy-3-methylphenyl)acetohydrazide?
The InChIKey is VNKLPSZGWYGMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-5-3-6(11)4-7(9(5)16-2)8(12)10(15)14-13/h3-4,8H,12-13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-2-(5-chloro-2-methoxy-3-methylphenyl)acetohydrazide?
2-amino-2-(5-chloro-2-methoxy-3-methylphenyl)acetohydrazide has a molecular weight of 243.69 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-chloro-2-methoxy-3-methylphenyl)acetohydrazide is sourced from PubChem (CID 116848462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).