N'-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)ethyl]oxamide

C13H18ClN3O2 — CID 7585401

IUPACN'-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)ethyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCN(C)C)cc1Cl
InChIInChI=1S/C13H18ClN3O2/c1-9-4-5-10(8-11(9)14)16-13(19)12(18)15-6-7-17(2)3/h4-5,8H,6-7H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyZAWBQKIWVZZKTK-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.26
Rot. Bonds4

About N'-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)ethyl]oxamide

N'-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)ethyl]oxamide (PubChem CID 7585401) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is N'-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)ethyl]oxamide
PubChem CID7585401
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC NameN'-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)ethyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCN(C)C)cc1Cl
InChIInChI=1S/C13H18ClN3O2/c1-9-4-5-10(8-11(9)14)16-13(19)12(18)15-6-7-17(2)3/h4-5,8H,6-7H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyZAWBQKIWVZZKTK-UHFFFAOYSA-N
XLogP1.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chloro-4-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 7585404
N'-(3-chloro-4-methylphenyl)-N-(3-methylbutyl)oxamide
CID 2290781
N'-(3-chloro-4-methylphenyl)-N-dodecyloxamide
CID 124529536
N'-(3-chloro-4-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490803
N-(3-chloro-4-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 108995126
N'-(3-chloro-4-methylphenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 7585408
N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 108515008
N'-(2,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 108501046
N'-(4-bromo-3-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 47148089
3-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 163329159
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[3-(dimethylamino)propyl]oxamide
CID 108515808
N'-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 108519474

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)ethyl]oxamide?
The IUPAC name of N'-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)ethyl]oxamide (CID 7585401) is N'-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)ethyl]oxamide.
What is the SMILES notation for N'-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)ethyl]oxamide?
The canonical SMILES for N'-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)ethyl]oxamide is Cc1ccc(NC(=O)C(=O)NCCN(C)C)cc1Cl.
What is the InChIKey of N'-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)ethyl]oxamide?
The InChIKey is ZAWBQKIWVZZKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-9-4-5-10(8-11(9)14)16-13(19)12(18)15-6-7-17(2)3/h4-5,8H,6-7H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of N'-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)ethyl]oxamide?
N'-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)ethyl]oxamide has a molecular weight of 283.76 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)ethyl]oxamide is sourced from PubChem (CID 7585401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).