N-(2-chloroethyl)-N'-(2,6-diethylphenyl)oxamide

C14H19ClN2O2 — CID 108511372

IUPACN-(2-chloroethyl)-N'-(2,6-diethylphenyl)oxamide
SMILESCCc1cccc(CC)c1NC(=O)C(=O)NCCCl
InChIInChI=1S/C14H19ClN2O2/c1-3-10-6-5-7-11(4-2)12(10)17-14(19)13(18)16-9-8-15/h5-7H,3-4,8-9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyHTZBMZVHIFVZAB-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.10
Rot. Bonds5

About N-(2-chloroethyl)-N'-(2,6-diethylphenyl)oxamide

N-(2-chloroethyl)-N'-(2,6-diethylphenyl)oxamide (PubChem CID 108511372) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-(2-chloroethyl)-N'-(2,6-diethylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N'-(2,6-diethylphenyl)oxamide
PubChem CID108511372
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-(2-chloroethyl)-N'-(2,6-diethylphenyl)oxamide
SMILESCCc1cccc(CC)c1NC(=O)C(=O)NCCCl
InChIInChI=1S/C14H19ClN2O2/c1-3-10-6-5-7-11(4-2)12(10)17-14(19)13(18)16-9-8-15/h5-7H,3-4,8-9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyHTZBMZVHIFVZAB-UHFFFAOYSA-N
XLogP2.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-N'-(2,6-diethylphenyl)oxamide
CID 43315674
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
N'-(2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669792
(Z)-2,3-dichloro-N'-(2,6-diethylphenyl)but-2-enediamide
CID 156785541
N'-(2,6-diethylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108511400
N-(3-chloropropyl)-N'-(2,6-difluorophenyl)oxamide
CID 108513680
N-(4-anilinophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511452
N'-(2,6-diethylphenyl)-N-(2,3-dimethylphenyl)oxamide
CID 108511380
N-(4-acetylphenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511377
N-(2,6-diethylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108511574
N-(2,5-dichlorophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108500926
N'-(2,6-diethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide
CID 110893782

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N'-(2,6-diethylphenyl)oxamide?
The IUPAC name of N-(2-chloroethyl)-N'-(2,6-diethylphenyl)oxamide (CID 108511372) is N-(2-chloroethyl)-N'-(2,6-diethylphenyl)oxamide.
What is the SMILES notation for N-(2-chloroethyl)-N'-(2,6-diethylphenyl)oxamide?
The canonical SMILES for N-(2-chloroethyl)-N'-(2,6-diethylphenyl)oxamide is CCc1cccc(CC)c1NC(=O)C(=O)NCCCl.
What is the InChIKey of N-(2-chloroethyl)-N'-(2,6-diethylphenyl)oxamide?
The InChIKey is HTZBMZVHIFVZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-3-10-6-5-7-11(4-2)12(10)17-14(19)13(18)16-9-8-15/h5-7H,3-4,8-9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-(2-chloroethyl)-N'-(2,6-diethylphenyl)oxamide?
N-(2-chloroethyl)-N'-(2,6-diethylphenyl)oxamide has a molecular weight of 282.77 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N'-(2,6-diethylphenyl)oxamide is sourced from PubChem (CID 108511372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).