N-(2-chloroethyl)-N'-(3-nitrophenyl)oxamide

C10H10ClN3O4 — CID 108513255

IUPACN-(2-chloroethyl)-N'-(3-nitrophenyl)oxamide
SMILESO=C(NCCCl)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H10ClN3O4/c11-4-5-12-9(15)10(16)13-7-2-1-3-8(6-7)14(17)18/h1-3,6H,4-5H2,(H,12,15)(H,13,16)
InChIKeyPHEDIHWHKXMHTP-UHFFFAOYSA-N
MW271.66 g/mol
LogP0.89
Rot. Bonds4

About N-(2-chloroethyl)-N'-(3-nitrophenyl)oxamide

N-(2-chloroethyl)-N'-(3-nitrophenyl)oxamide (PubChem CID 108513255) has the molecular formula C10H10ClN3O4 and a molecular weight of 271.66 g/mol. Its IUPAC name is N-(2-chloroethyl)-N'-(3-nitrophenyl)oxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N'-(3-nitrophenyl)oxamide
PubChem CID108513255
Molecular FormulaC10H10ClN3O4
Molecular Weight271.66 g/mol
Exact Mass271.04
IUPAC NameN-(2-chloroethyl)-N'-(3-nitrophenyl)oxamide
SMILESO=C(NCCCl)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H10ClN3O4/c11-4-5-12-9(15)10(16)13-7-2-1-3-8(6-7)14(17)18/h1-3,6H,4-5H2,(H,12,15)(H,13,16)
InChIKeyPHEDIHWHKXMHTP-UHFFFAOYSA-N
XLogP0.89
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.66
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-hydroxypentyl)-N'-(3-nitrophenyl)oxamide
CID 108513314
N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-(3-nitrophenyl)oxamide
CID 16891544
N'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide
CID 108513374
N'-(3,5-dimethylphenyl)-N-(3-nitrophenyl)oxamide
CID 45001006
N'-naphthalen-1-yl-N-(3-nitrophenyl)oxamide
CID 108513330
N-[[4-(dimethylamino)phenyl]methyl]-N'-(3-nitrophenyl)oxamide
CID 71894770
N-(4-acetylphenyl)-N'-(3-nitrophenyl)oxamide
CID 108513258
4-N-(3-nitrophenyl)-1-N-[2-[[4-[(3-nitrophenyl)carbamoyl]benzoyl]amino]ethyl]benzene-1,4-dicarboxamide
CID 22152538
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
N'-(3-nitrophenyl)-N-(4-propan-2-ylphenyl)oxamide
CID 45001038
N'-(2-bromophenyl)-N-(3-nitrophenyl)oxamide
CID 108513373

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N'-(3-nitrophenyl)oxamide?
The IUPAC name of N-(2-chloroethyl)-N'-(3-nitrophenyl)oxamide (CID 108513255) is N-(2-chloroethyl)-N'-(3-nitrophenyl)oxamide.
What is the SMILES notation for N-(2-chloroethyl)-N'-(3-nitrophenyl)oxamide?
The canonical SMILES for N-(2-chloroethyl)-N'-(3-nitrophenyl)oxamide is O=C(NCCCl)C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(2-chloroethyl)-N'-(3-nitrophenyl)oxamide?
The InChIKey is PHEDIHWHKXMHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O4/c11-4-5-12-9(15)10(16)13-7-2-1-3-8(6-7)14(17)18/h1-3,6H,4-5H2,(H,12,15)(H,13,16).
What are the key properties of N-(2-chloroethyl)-N'-(3-nitrophenyl)oxamide?
N-(2-chloroethyl)-N'-(3-nitrophenyl)oxamide has a molecular weight of 271.66 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N'-(3-nitrophenyl)oxamide is sourced from PubChem (CID 108513255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).