N-(2-chloroethyl)-N'-(2,4-dimethylphenyl)oxamide

C12H15ClN2O2 — CID 108513846

IUPACN-(2-chloroethyl)-N'-(2,4-dimethylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCCl)c(C)c1
InChIInChI=1S/C12H15ClN2O2/c1-8-3-4-10(9(2)7-8)15-12(17)11(16)14-6-5-13/h3-4,7H,5-6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyPTLVBMKXVDLWKY-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.60
Rot. Bonds3

About N-(2-chloroethyl)-N'-(2,4-dimethylphenyl)oxamide

N-(2-chloroethyl)-N'-(2,4-dimethylphenyl)oxamide (PubChem CID 108513846) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is N-(2-chloroethyl)-N'-(2,4-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N'-(2,4-dimethylphenyl)oxamide
PubChem CID108513846
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC NameN-(2-chloroethyl)-N'-(2,4-dimethylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCCl)c(C)c1
InChIInChI=1S/C12H15ClN2O2/c1-8-3-4-10(9(2)7-8)15-12(17)11(16)14-6-5-13/h3-4,7H,5-6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyPTLVBMKXVDLWKY-UHFFFAOYSA-N
XLogP1.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.60
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,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
N-(2-chloroethyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 108513847
N-(3-chloropropyl)-N'-(4-hydroxy-2-methylphenyl)oxamide
CID 108509469
N'-(2,4-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 7033220
N'-(2,4-dimethylphenyl)-N-(2-phenoxyethyl)oxamide
CID 4241326
N'-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 16799810
1-(2,4-dimethylphenyl)-3-(3-oxobutyl)urea
CID 108895054
N-(2,4-dimethylphenyl)-2-methylidenepentanamide
CID 141225698
N'-(2,5-dichlorophenyl)-N-(2,4-dimethylphenyl)oxamide
CID 108500949
N'-(2,4-dimethylphenyl)-N-[(2S)-2-phenylpropyl]oxamide
CID 40977221
N-(2-hydroxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 108516391
N-(3-bromo-4-methylphenyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108986806

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N'-(2,4-dimethylphenyl)oxamide?
The IUPAC name of N-(2-chloroethyl)-N'-(2,4-dimethylphenyl)oxamide (CID 108513846) is N-(2-chloroethyl)-N'-(2,4-dimethylphenyl)oxamide.
What is the SMILES notation for N-(2-chloroethyl)-N'-(2,4-dimethylphenyl)oxamide?
The canonical SMILES for N-(2-chloroethyl)-N'-(2,4-dimethylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)NCCCl)c(C)c1.
What is the InChIKey of N-(2-chloroethyl)-N'-(2,4-dimethylphenyl)oxamide?
The InChIKey is PTLVBMKXVDLWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-8-3-4-10(9(2)7-8)15-12(17)11(16)14-6-5-13/h3-4,7H,5-6H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-(2-chloroethyl)-N'-(2,4-dimethylphenyl)oxamide?
N-(2-chloroethyl)-N'-(2,4-dimethylphenyl)oxamide has a molecular weight of 254.72 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N'-(2,4-dimethylphenyl)oxamide is sourced from PubChem (CID 108513846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).