N-(3-chloropropyl)-N'-(2,4,6-trimethylphenyl)oxamide

C14H19ClN2O2 — CID 108512188

IUPACN-(3-chloropropyl)-N'-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)NCCCCl)c(C)c1
InChIInChI=1S/C14H19ClN2O2/c1-9-7-10(2)12(11(3)8-9)17-14(19)13(18)16-6-4-5-15/h7-8H,4-6H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyHLIVQYGPZNLLJU-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.30
Rot. Bonds4

About N-(3-chloropropyl)-N'-(2,4,6-trimethylphenyl)oxamide

N-(3-chloropropyl)-N'-(2,4,6-trimethylphenyl)oxamide (PubChem CID 108512188) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-(3-chloropropyl)-N'-(2,4,6-trimethylphenyl)oxamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-N'-(2,4,6-trimethylphenyl)oxamide
PubChem CID108512188
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-(3-chloropropyl)-N'-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)NCCCCl)c(C)c1
InChIInChI=1S/C14H19ClN2O2/c1-9-7-10(2)12(11(3)8-9)17-14(19)13(18)16-6-4-5-15/h7-8H,4-6H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyHLIVQYGPZNLLJU-UHFFFAOYSA-N
XLogP2.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-chloropropyl)-N'-(2,4,6-trimethylphenyl)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-dodecyl-N'-(2,4,6-trimethylphenyl)oxamide
CID 3100446
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
N-(3-chloropropyl)-N'-(4-hydroxy-2-methylphenyl)oxamide
CID 108509469
N-(3-morpholin-4-ium-4-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 7034625
N-(3-chloropropyl)-N'-(2,6-difluorophenyl)oxamide
CID 108513680
N-(2-amino-2-sulfanylideneethyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 43316123
N-(3-chloropropyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108513695
N-(2-chloroethyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108513846
N-(2,6-dimethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512317
1-(3-chloropropyl)-3-(2,6-dimethylphenyl)urea
CID 13326597
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 2291243
N'-pyrimidin-2-yl-N-(2,4,6-trimethylphenyl)oxamide
CID 108512217

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N'-(2,4,6-trimethylphenyl)oxamide?
The IUPAC name of N-(3-chloropropyl)-N'-(2,4,6-trimethylphenyl)oxamide (CID 108512188) is N-(3-chloropropyl)-N'-(2,4,6-trimethylphenyl)oxamide.
What is the SMILES notation for N-(3-chloropropyl)-N'-(2,4,6-trimethylphenyl)oxamide?
The canonical SMILES for N-(3-chloropropyl)-N'-(2,4,6-trimethylphenyl)oxamide is Cc1cc(C)c(NC(=O)C(=O)NCCCCl)c(C)c1.
What is the InChIKey of N-(3-chloropropyl)-N'-(2,4,6-trimethylphenyl)oxamide?
The InChIKey is HLIVQYGPZNLLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-9-7-10(2)12(11(3)8-9)17-14(19)13(18)16-6-4-5-15/h7-8H,4-6H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-(3-chloropropyl)-N'-(2,4,6-trimethylphenyl)oxamide?
N-(3-chloropropyl)-N'-(2,4,6-trimethylphenyl)oxamide has a molecular weight of 282.77 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N'-(2,4,6-trimethylphenyl)oxamide is sourced from PubChem (CID 108512188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).