N'-(2,3-dichlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]oxamide

C12H13Cl2N3O3 — CID 86996127

IUPACN'-(2,3-dichlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]oxamide
SMILESCCNC(=O)CNC(=O)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H13Cl2N3O3/c1-2-15-9(18)6-16-11(19)12(20)17-8-5-3-4-7(13)10(8)14/h3-5H,2,6H2,1H3,(H,15,18)(H,16,19)(H,17,20)
InChIKeySZKRHTUOGLSYPL-UHFFFAOYSA-N
MW318.16 g/mol
LogP1.18
Rot. Bonds4

About N'-(2,3-dichlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]oxamide

N'-(2,3-dichlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]oxamide (PubChem CID 86996127) has the molecular formula C12H13Cl2N3O3 and a molecular weight of 318.16 g/mol. Its IUPAC name is N'-(2,3-dichlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]oxamide.

Molecular Properties

Compound NameN'-(2,3-dichlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]oxamide
PubChem CID86996127
Molecular FormulaC12H13Cl2N3O3
Molecular Weight318.16 g/mol
Exact Mass317.03
IUPAC NameN'-(2,3-dichlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]oxamide
SMILESCCNC(=O)CNC(=O)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H13Cl2N3O3/c1-2-15-9(18)6-16-11(19)12(20)17-8-5-3-4-7(13)10(8)14/h3-5H,2,6H2,1H3,(H,15,18)(H,16,19)(H,17,20)
InChIKeySZKRHTUOGLSYPL-UHFFFAOYSA-N
XLogP1.18
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,3-dichlorophenyl)-N-(2-methoxyethyl)oxamide
CID 620497
N'-(2,3-dichlorophenyl)-N-(3-hydroxypropyl)oxamide
CID 2266325
1-(2,3-dichlorophenyl)-3-propylurea
CID 4654956
3-(2,3-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108991555
N-[2-(2,3-dichloroanilino)-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 113001513
3-(2,3-dichlorophenyl)-1,1-diethylurea
CID 4098247
2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid
CID 28508177
1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991483
1-(2,3-dichlorophenyl)-3-prop-2-ynylurea
CID 97180602
N-(2,3-dichlorophenyl)-2-(N-ethylanilino)acetamide
CID 54808631
N-(2,3-dichlorophenyl)-N'-ethyl-N'-phenyloxamide
CID 108500732
N,N'-bis(2,3-dichlorophenyl)dodecanediamide
CID 3641487

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dichlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]oxamide?
The IUPAC name of N'-(2,3-dichlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]oxamide (CID 86996127) is N'-(2,3-dichlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]oxamide.
What is the SMILES notation for N'-(2,3-dichlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]oxamide?
The canonical SMILES for N'-(2,3-dichlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]oxamide is CCNC(=O)CNC(=O)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N'-(2,3-dichlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]oxamide?
The InChIKey is SZKRHTUOGLSYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O3/c1-2-15-9(18)6-16-11(19)12(20)17-8-5-3-4-7(13)10(8)14/h3-5H,2,6H2,1H3,(H,15,18)(H,16,19)(H,17,20).
What are the key properties of N'-(2,3-dichlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]oxamide?
N'-(2,3-dichlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]oxamide has a molecular weight of 318.16 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dichlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]oxamide is sourced from PubChem (CID 86996127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).