N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methyl-2-oxoacetamide

C10H12ClN3O2 — CID 61414861

IUPACN-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methyl-2-oxoacetamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)C(=O)NN
InChIInChI=1S/C10H12ClN3O2/c1-14(10(16)9(15)13-12)6-7-2-4-8(11)5-3-7/h2-5H,6,12H2,1H3,(H,13,15)
InChIKeyQXLKGPDBYNSPQW-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.29
Rot. Bonds2

About N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methyl-2-oxoacetamide

N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methyl-2-oxoacetamide (PubChem CID 61414861) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methyl-2-oxoacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methyl-2-oxoacetamide
PubChem CID61414861
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC NameN-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methyl-2-oxoacetamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)C(=O)NN
InChIInChI=1S/C10H12ClN3O2/c1-14(10(16)9(15)13-12)6-7-2-4-8(11)5-3-7/h2-5H,6,12H2,1H3,(H,13,15)
InChIKeyQXLKGPDBYNSPQW-UHFFFAOYSA-N
XLogP0.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 39246978
3-[(4-chlorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231249
3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 100590851
2-amino-3-[(4-chlorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 115179376
2-amino-N-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide
CID 60939022
N-[(4-chlorophenyl)methyl]-N-methyl-2-methylsulfanylacetamide
CID 112790205
4-[(4-chlorophenyl)methyl-methylamino]pentanehydrazide
CID 63578763
3-amino-1-[(4-chlorophenyl)methyl]-1-methyl-2-phenylguanidine
CID 116514725
3-amino-1-[(4-ethylphenyl)methyl]-1-methylurea
CID 115192722
2-acetamido-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 78768765
1-amino-N-[(4-chlorophenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 60938892
2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide
CID 115432066

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methyl-2-oxoacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methyl-2-oxoacetamide (CID 61414861) is N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methyl-2-oxoacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methyl-2-oxoacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methyl-2-oxoacetamide is CN(Cc1ccc(Cl)cc1)C(=O)C(=O)NN.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methyl-2-oxoacetamide?
The InChIKey is QXLKGPDBYNSPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-14(10(16)9(15)13-12)6-7-2-4-8(11)5-3-7/h2-5H,6,12H2,1H3,(H,13,15).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methyl-2-oxoacetamide?
N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methyl-2-oxoacetamide has a molecular weight of 241.68 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methyl-2-oxoacetamide is sourced from PubChem (CID 61414861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).