N'-(1-chloroethyl)oxamide

C4H7ClN2O2 — CID 175433952

IUPACN'-(1-chloroethyl)oxamide
SMILESCC(Cl)NC(=O)C(N)=O
InChIInChI=1S/C4H7ClN2O2/c1-2(5)7-4(9)3(6)8/h2H,1H3,(H2,6,8)(H,7,9)
InChIKeyJQIJDYHZUKDPFX-UHFFFAOYSA-N
MW150.56 g/mol
LogP-0.83
Rot. Bonds1

About N'-(1-chloroethyl)oxamide

N'-(1-chloroethyl)oxamide (PubChem CID 175433952) has the molecular formula C4H7ClN2O2 and a molecular weight of 150.56 g/mol. Its IUPAC name is N'-(1-chloroethyl)oxamide.

Molecular Properties

Compound NameN'-(1-chloroethyl)oxamide
PubChem CID175433952
Molecular FormulaC4H7ClN2O2
Molecular Weight150.56 g/mol
Exact Mass150.02
IUPAC NameN'-(1-chloroethyl)oxamide
SMILESCC(Cl)NC(=O)C(N)=O
InChIInChI=1S/C4H7ClN2O2/c1-2(5)7-4(9)3(6)8/h2H,1H3,(H2,6,8)(H,7,9)
InChIKeyJQIJDYHZUKDPFX-UHFFFAOYSA-N
XLogP-0.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.56
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N'-[(2R)-butan-2-yl]oxamide
CID 124605597
N-(1-chloroethyl)carbamoyl chloride
CID 12573467
1-N'-(1-chloroethyl)ethene-1,1-diamine
CID 163739857
1,1-dichloroethane;urea
CID 158856998
N'-[1-(4-methylphenyl)ethyl]oxamide
CID 69272528
dichloromethylurea
CID 23083847
ethane;N'-methyloxamide
CID 176938398
methyl 2-(2-chloropropanoylamino)propanoate
CID 60780321
(2S)-3-hydroxy-2-(oxamoylamino)propanoic acid
CID 171342285
calcium;N-propan-2-ylcarbamothioate;carbamothioate
CID 118002432
1-sulfanylpropan-2-ylurea
CID 89224596
methyl 2-chloropropanoate;stannane
CID 173428193

Frequently Asked Questions

What is the IUPAC name of N'-(1-chloroethyl)oxamide?
The IUPAC name of N'-(1-chloroethyl)oxamide (CID 175433952) is N'-(1-chloroethyl)oxamide.
What is the SMILES notation for N'-(1-chloroethyl)oxamide?
The canonical SMILES for N'-(1-chloroethyl)oxamide is CC(Cl)NC(=O)C(N)=O.
What is the InChIKey of N'-(1-chloroethyl)oxamide?
The InChIKey is JQIJDYHZUKDPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClN2O2/c1-2(5)7-4(9)3(6)8/h2H,1H3,(H2,6,8)(H,7,9).
What are the key properties of N'-(1-chloroethyl)oxamide?
N'-(1-chloroethyl)oxamide has a molecular weight of 150.56 g/mol, XLogP of -0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-chloroethyl)oxamide is sourced from PubChem (CID 175433952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).