N-[2-chloro-5-(diethylcarbamoyl)phenyl]-N',N'-diethyloxamide

C17H24ClN3O3 — CID 50961889

IUPACN-[2-chloro-5-(diethylcarbamoyl)phenyl]-N',N'-diethyloxamide
SMILESCCN(CC)C(=O)C(=O)Nc1cc(C(=O)N(CC)CC)ccc1Cl
InChIInChI=1S/C17H24ClN3O3/c1-5-20(6-2)16(23)12-9-10-13(18)14(11-12)19-15(22)17(24)21(7-3)8-4/h9-11H,5-8H2,1-4H3,(H,19,22)
InChIKeyUHQKROPDJUNBAM-UHFFFAOYSA-N
MW353.85 g/mol
LogP2.63
Rot. Bonds6

About N-[2-chloro-5-(diethylcarbamoyl)phenyl]-N',N'-diethyloxamide

N-[2-chloro-5-(diethylcarbamoyl)phenyl]-N',N'-diethyloxamide (PubChem CID 50961889) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is N-[2-chloro-5-(diethylcarbamoyl)phenyl]-N',N'-diethyloxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(diethylcarbamoyl)phenyl]-N',N'-diethyloxamide
PubChem CID50961889
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC NameN-[2-chloro-5-(diethylcarbamoyl)phenyl]-N',N'-diethyloxamide
SMILESCCN(CC)C(=O)C(=O)Nc1cc(C(=O)N(CC)CC)ccc1Cl
InChIInChI=1S/C17H24ClN3O3/c1-5-20(6-2)16(23)12-9-10-13(18)14(11-12)19-15(22)17(24)21(7-3)8-4/h9-11H,5-8H2,1-4H3,(H,19,22)
InChIKeyUHQKROPDJUNBAM-UHFFFAOYSA-N
XLogP2.63
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dichlorophenyl)-N',N'-diethyloxamide
CID 39370052
methyl 4-chloro-3-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate
CID 108986502
N'-benzyl-N-(2,5-dichlorophenyl)-N'-ethyloxamide
CID 108500995
N-[2-chloro-5-(diethylcarbamoyl)phenyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
CID 50971382
4-chloro-N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 169370448
methyl 4-chloro-3-[[6-(diethylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109099029
3-N-(2,5-dichlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106831
N-[2-chloro-5-[[4-(diethylcarbamoyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 34542770
2-[(3,4-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901166
N-(2-tert-butylphenyl)-N',N'-diethyloxamide
CID 47335864
3,4-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylbenzamide
CID 56812632
4-(diethylamino)-N,N-diethylbenzamide
CID 17310828

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(diethylcarbamoyl)phenyl]-N',N'-diethyloxamide?
The IUPAC name of N-[2-chloro-5-(diethylcarbamoyl)phenyl]-N',N'-diethyloxamide (CID 50961889) is N-[2-chloro-5-(diethylcarbamoyl)phenyl]-N',N'-diethyloxamide.
What is the SMILES notation for N-[2-chloro-5-(diethylcarbamoyl)phenyl]-N',N'-diethyloxamide?
The canonical SMILES for N-[2-chloro-5-(diethylcarbamoyl)phenyl]-N',N'-diethyloxamide is CCN(CC)C(=O)C(=O)Nc1cc(C(=O)N(CC)CC)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(diethylcarbamoyl)phenyl]-N',N'-diethyloxamide?
The InChIKey is UHQKROPDJUNBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3/c1-5-20(6-2)16(23)12-9-10-13(18)14(11-12)19-15(22)17(24)21(7-3)8-4/h9-11H,5-8H2,1-4H3,(H,19,22).
What are the key properties of N-[2-chloro-5-(diethylcarbamoyl)phenyl]-N',N'-diethyloxamide?
N-[2-chloro-5-(diethylcarbamoyl)phenyl]-N',N'-diethyloxamide has a molecular weight of 353.85 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(diethylcarbamoyl)phenyl]-N',N'-diethyloxamide is sourced from PubChem (CID 50961889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).