N'-[(4-chlorophenyl)methyl]-N-methyloxamide

C10H11ClN2O2 — CID 21212869

IUPACN'-[(4-chlorophenyl)methyl]-N-methyloxamide
SMILESCNC(=O)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2O2/c1-12-9(14)10(15)13-6-7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,14)(H,13,15)
InChIKeyBRVAGZQTMVIOJP-UHFFFAOYSA-N
MW226.66 g/mol
LogP0.70
Rot. Bonds2

About N'-[(4-chlorophenyl)methyl]-N-methyloxamide

N'-[(4-chlorophenyl)methyl]-N-methyloxamide (PubChem CID 21212869) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)methyl]-N-methyloxamide.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)methyl]-N-methyloxamide
PubChem CID21212869
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC NameN'-[(4-chlorophenyl)methyl]-N-methyloxamide
SMILESCNC(=O)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2O2/c1-12-9(14)10(15)13-6-7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,14)(H,13,15)
InChIKeyBRVAGZQTMVIOJP-UHFFFAOYSA-N
XLogP0.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-[(4-chlorophenyl)methyl]-N-methyloxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ambenonium Chloride
CID 8288
Ambenonium
CID 2131
Uamc00039
CID 11232124
Benurestat
CID 38000
N-(2-amino-2-oxoethyl)-4-chlorobenzamide
CID 350021
N-(2-chlorobenzyl)butanamide
CID 885659
N-[(2-chlorophenyl)methyl]pentanamide
CID 2218154
2-Imidazolidinone, 1-((4-chlorophenyl)methyl)-
CID 5076481
Ro 16-6491
CID 4289
N-[2-(4-chlorophenyl)ethyl]-N'-isopropylethanediamide
CID 2290457
Acetamide, 2-(diethylamino)-N-(phenylmethyl)-
CID 969777
2-Chloro-N-(4-Chlorobenzyl)Acetamide
CID 265741

Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorophenyl)methyl]-N-methyloxamide?
The IUPAC name of N'-[(4-chlorophenyl)methyl]-N-methyloxamide (CID 21212869) is N'-[(4-chlorophenyl)methyl]-N-methyloxamide.
What is the SMILES notation for N'-[(4-chlorophenyl)methyl]-N-methyloxamide?
The canonical SMILES for N'-[(4-chlorophenyl)methyl]-N-methyloxamide is CNC(=O)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N'-[(4-chlorophenyl)methyl]-N-methyloxamide?
The InChIKey is BRVAGZQTMVIOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-12-9(14)10(15)13-6-7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N'-[(4-chlorophenyl)methyl]-N-methyloxamide?
N'-[(4-chlorophenyl)methyl]-N-methyloxamide has a molecular weight of 226.66 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorophenyl)methyl]-N-methyloxamide is sourced from PubChem (CID 21212869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).