N'-(4-carbamoylphenyl)-N-(2-chloroethyl)oxamide

C11H12ClN3O3 — CID 108513978

IUPACN'-(4-carbamoylphenyl)-N-(2-chloroethyl)oxamide
SMILESNC(=O)c1ccc(NC(=O)C(=O)NCCCl)cc1
InChIInChI=1S/C11H12ClN3O3/c12-5-6-14-10(17)11(18)15-8-3-1-7(2-4-8)9(13)16/h1-4H,5-6H2,(H2,13,16)(H,14,17)(H,15,18)
InChIKeyWXFDQZYKGJXSKE-UHFFFAOYSA-N
MW269.69 g/mol
LogP0.08
Rot. Bonds4

About N'-(4-carbamoylphenyl)-N-(2-chloroethyl)oxamide

N'-(4-carbamoylphenyl)-N-(2-chloroethyl)oxamide (PubChem CID 108513978) has the molecular formula C11H12ClN3O3 and a molecular weight of 269.69 g/mol. Its IUPAC name is N'-(4-carbamoylphenyl)-N-(2-chloroethyl)oxamide.

Molecular Properties

Compound NameN'-(4-carbamoylphenyl)-N-(2-chloroethyl)oxamide
PubChem CID108513978
Molecular FormulaC11H12ClN3O3
Molecular Weight269.69 g/mol
Exact Mass269.06
IUPAC NameN'-(4-carbamoylphenyl)-N-(2-chloroethyl)oxamide
SMILESNC(=O)c1ccc(NC(=O)C(=O)NCCCl)cc1
InChIInChI=1S/C11H12ClN3O3/c12-5-6-14-10(17)11(18)15-8-3-1-7(2-4-8)9(13)16/h1-4H,5-6H2,(H2,13,16)(H,14,17)(H,15,18)
InChIKeyWXFDQZYKGJXSKE-UHFFFAOYSA-N
XLogP0.08
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-butyl-N'-(4-carbamoylphenyl)oxamide
CID 7584966
N-(2-amino-2-sulfanylideneethyl)-N'-(4-carbamoylphenyl)oxamide
CID 43316270
N-benzyl-N'-(4-carbamoylphenyl)oxamide
CID 7584954
N-(2-chloroethyl)-N'-[4-(diethylamino)phenyl]oxamide
CID 108513980
N-(4-carbamoylphenyl)-N'-(4-iodophenyl)oxamide
CID 108530450
N-(4-carbamoylphenyl)-N'-(4-fluorophenyl)oxamide
CID 45001370
N'-(4-carbamoylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 7584971
N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 45001359
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
N'-butan-2-yl-N-(4-carbamoylphenyl)oxamide
CID 45001357
N-(2-chloroethyl)-N'-(3-nitrophenyl)oxamide
CID 108513255
4-[(3-amino-3-sulfanylidenepropanoyl)amino]benzamide
CID 28942422

Frequently Asked Questions

What is the IUPAC name of N'-(4-carbamoylphenyl)-N-(2-chloroethyl)oxamide?
The IUPAC name of N'-(4-carbamoylphenyl)-N-(2-chloroethyl)oxamide (CID 108513978) is N'-(4-carbamoylphenyl)-N-(2-chloroethyl)oxamide.
What is the SMILES notation for N'-(4-carbamoylphenyl)-N-(2-chloroethyl)oxamide?
The canonical SMILES for N'-(4-carbamoylphenyl)-N-(2-chloroethyl)oxamide is NC(=O)c1ccc(NC(=O)C(=O)NCCCl)cc1.
What is the InChIKey of N'-(4-carbamoylphenyl)-N-(2-chloroethyl)oxamide?
The InChIKey is WXFDQZYKGJXSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3/c12-5-6-14-10(17)11(18)15-8-3-1-7(2-4-8)9(13)16/h1-4H,5-6H2,(H2,13,16)(H,14,17)(H,15,18).
What are the key properties of N'-(4-carbamoylphenyl)-N-(2-chloroethyl)oxamide?
N'-(4-carbamoylphenyl)-N-(2-chloroethyl)oxamide has a molecular weight of 269.69 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-carbamoylphenyl)-N-(2-chloroethyl)oxamide is sourced from PubChem (CID 108513978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).