N-(cyanomethyl)-N'-(3,4-dichlorophenyl)oxamide

C10H7Cl2N3O2 — CID 43315781

IUPACN-(cyanomethyl)-N'-(3,4-dichlorophenyl)oxamide
SMILESN#CCNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H7Cl2N3O2/c11-7-2-1-6(5-8(7)12)15-10(17)9(16)14-4-3-13/h1-2,5H,4H2,(H,14,16)(H,15,17)
InChIKeyMGXBIBNCISOLJX-UHFFFAOYSA-N
MW272.09 g/mol
LogP1.57
Rot. Bonds2

About N-(cyanomethyl)-N'-(3,4-dichlorophenyl)oxamide

N-(cyanomethyl)-N'-(3,4-dichlorophenyl)oxamide (PubChem CID 43315781) has the molecular formula C10H7Cl2N3O2 and a molecular weight of 272.09 g/mol. Its IUPAC name is N-(cyanomethyl)-N'-(3,4-dichlorophenyl)oxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N'-(3,4-dichlorophenyl)oxamide
PubChem CID43315781
Molecular FormulaC10H7Cl2N3O2
Molecular Weight272.09 g/mol
Exact Mass270.99
IUPAC NameN-(cyanomethyl)-N'-(3,4-dichlorophenyl)oxamide
SMILESN#CCNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H7Cl2N3O2/c11-7-2-1-6(5-8(7)12)15-10(17)9(16)14-4-3-13/h1-2,5H,4H2,(H,14,16)(H,15,17)
InChIKeyMGXBIBNCISOLJX-UHFFFAOYSA-N
XLogP1.57
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(cyanomethyl)-N'-(3,4-dichlorophenyl)oxamide 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

N'-(4-chloro-3-methoxyphenyl)-N-(cyanomethyl)oxamide
CID 107621880
N'-(4-tert-butylphenyl)-N-(cyanomethyl)oxamide
CID 43315681
N-(cyanomethyl)-N'-(3-methoxyphenyl)oxamide
CID 43315934
N-(cyanomethyl)-N'-(4-methylsulfonylphenyl)oxamide
CID 43315997
N-(3,4-dichlorophenyl)-2-methylprop-2-enamide
CID 16560
N-(cyanomethyl)-N'-(3,4,5-trifluorophenyl)oxamide
CID 62811653
N'-(3,4-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 2250005
N-(cyanomethyl)-N'-pyridin-3-yloxamide
CID 43315640
N'-(3,4-dichlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]oxamide
CID 4317338
(3,4-dichlorophenyl) N-(cyanomethyl)carbamate
CID 116819787
N-(3,4-dichlorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 47224716
N-cyclopropyl-N'-(3,4-dichlorophenyl)oxamide
CID 2193894

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N'-(3,4-dichlorophenyl)oxamide?
The IUPAC name of N-(cyanomethyl)-N'-(3,4-dichlorophenyl)oxamide (CID 43315781) is N-(cyanomethyl)-N'-(3,4-dichlorophenyl)oxamide.
What is the SMILES notation for N-(cyanomethyl)-N'-(3,4-dichlorophenyl)oxamide?
The canonical SMILES for N-(cyanomethyl)-N'-(3,4-dichlorophenyl)oxamide is N#CCNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(cyanomethyl)-N'-(3,4-dichlorophenyl)oxamide?
The InChIKey is MGXBIBNCISOLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O2/c11-7-2-1-6(5-8(7)12)15-10(17)9(16)14-4-3-13/h1-2,5H,4H2,(H,14,16)(H,15,17).
What are the key properties of N-(cyanomethyl)-N'-(3,4-dichlorophenyl)oxamide?
N-(cyanomethyl)-N'-(3,4-dichlorophenyl)oxamide has a molecular weight of 272.09 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N'-(3,4-dichlorophenyl)oxamide is sourced from PubChem (CID 43315781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).