2-[1-(3-chlorophenyl)ethyl-methylamino]acetohydrazide

C11H16ClN3O — CID 63583159

IUPAC2-[1-(3-chlorophenyl)ethyl-methylamino]acetohydrazide
SMILESCC(c1cccc(Cl)c1)N(C)CC(=O)NN
InChIInChI=1S/C11H16ClN3O/c1-8(15(2)7-11(16)14-13)9-4-3-5-10(12)6-9/h3-6,8H,7,13H2,1-2H3,(H,14,16)
InChIKeyRPNQZKYZNQXHEL-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.32
Rot. Bonds4

About 2-[1-(3-chlorophenyl)ethyl-methylamino]acetohydrazide

2-[1-(3-chlorophenyl)ethyl-methylamino]acetohydrazide (PubChem CID 63583159) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)ethyl-methylamino]acetohydrazide.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)ethyl-methylamino]acetohydrazide
PubChem CID63583159
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name2-[1-(3-chlorophenyl)ethyl-methylamino]acetohydrazide
SMILESCC(c1cccc(Cl)c1)N(C)CC(=O)NN
InChIInChI=1S/C11H16ClN3O/c1-8(15(2)7-11(16)14-13)9-4-3-5-10(12)6-9/h3-6,8H,7,13H2,1-2H3,(H,14,16)
InChIKeyRPNQZKYZNQXHEL-UHFFFAOYSA-N
XLogP1.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.32
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-[1-(4-chlorophenyl)ethyl-methylamino]acetohydrazide
CID 63585189
2-[1-(3-chlorophenyl)ethyl-methylamino]-N-(2-phenoxyethyl)acetamide
CID 60505360
N'-[1-(3-chlorophenyl)ethyl]-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103070459
2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N-methylacetamide
CID 55019741
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine
CID 103070461
5-[1-(3-chlorophenyl)ethyl-methylamino]pentan-2-one
CID 62980413
1-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980622
4-amino-2-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]phenol
CID 62979115
2-[1-(3-chlorophenyl)ethyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 87014789
ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]propanoate
CID 62979536
2-[1-(3-chlorophenyl)ethyl-methylamino]-1-(oxolan-3-yl)ethanone
CID 104750700
4-amino-3-[1-(3-chlorophenyl)ethyl-methylamino]-N-propylbutanamide
CID 66428887

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)ethyl-methylamino]acetohydrazide?
The IUPAC name of 2-[1-(3-chlorophenyl)ethyl-methylamino]acetohydrazide (CID 63583159) is 2-[1-(3-chlorophenyl)ethyl-methylamino]acetohydrazide.
What is the SMILES notation for 2-[1-(3-chlorophenyl)ethyl-methylamino]acetohydrazide?
The canonical SMILES for 2-[1-(3-chlorophenyl)ethyl-methylamino]acetohydrazide is CC(c1cccc(Cl)c1)N(C)CC(=O)NN.
What is the InChIKey of 2-[1-(3-chlorophenyl)ethyl-methylamino]acetohydrazide?
The InChIKey is RPNQZKYZNQXHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8(15(2)7-11(16)14-13)9-4-3-5-10(12)6-9/h3-6,8H,7,13H2,1-2H3,(H,14,16).
What are the key properties of 2-[1-(3-chlorophenyl)ethyl-methylamino]acetohydrazide?
2-[1-(3-chlorophenyl)ethyl-methylamino]acetohydrazide has a molecular weight of 241.72 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)ethyl-methylamino]acetohydrazide is sourced from PubChem (CID 63583159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).