chloroethane;N'-hydroxybutanediamide

C6H13ClN2O3 — CID 174689229

IUPACchloroethane;N'-hydroxybutanediamide
SMILESCCCl.NC(=O)CCC(=O)NO
InChIInChI=1S/C4H8N2O3.C2H5Cl/c5-3(7)1-2-4(8)6-9;1-2-3/h9H,1-2H2,(H2,5,7)(H,6,8);2H2,1H3
InChIKeyAFZHOJFXGDPNPZ-UHFFFAOYSA-N
MW196.63 g/mol
LogP0.00
Rot. Bonds3

About chloroethane;N'-hydroxybutanediamide

chloroethane;N'-hydroxybutanediamide (PubChem CID 174689229) has the molecular formula C6H13ClN2O3 and a molecular weight of 196.63 g/mol. Its IUPAC name is chloroethane;N'-hydroxybutanediamide.

Molecular Properties

Compound Namechloroethane;N'-hydroxybutanediamide
PubChem CID174689229
Molecular FormulaC6H13ClN2O3
Molecular Weight196.63 g/mol
Exact Mass196.06
IUPAC Namechloroethane;N'-hydroxybutanediamide
SMILESCCCl.NC(=O)CCC(=O)NO
InChIInChI=1S/C4H8N2O3.C2H5Cl/c5-3(7)1-2-4(8)6-9;1-2-3/h9H,1-2H2,(H2,5,7)(H,6,8);2H2,1H3
InChIKeyAFZHOJFXGDPNPZ-UHFFFAOYSA-N
XLogP0.00
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.63
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-hydroxybutanediamide;hydrofluoride
CID 174508828
ethanethioic S-acid;N'-hydroxybutanediamide
CID 174445258
butan-1-ol;N'-hydroxybutanediamide
CID 174644880
ethane;N'-hydroxyoctanediamide
CID 144754010
2,3-dihydroxybutanedioic acid;N'-hydroxybutanediamide
CID 174878339
CID 158833027
CID 158833027
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;N'-hydroxybutanediamide
CID 118455345
CID 87661495
CID 87661495
N'-butylbutanediamide
CID 12550556
2-(2,5-dioxopyrrol-1-yl)acetic acid;N'-hydroxybutanediamide
CID 175240210
butanediamide;hydrobromide
CID 158484059
butanediamide;molybdenum
CID 161333962

Frequently Asked Questions

What is the IUPAC name of chloroethane;N'-hydroxybutanediamide?
The IUPAC name of chloroethane;N'-hydroxybutanediamide (CID 174689229) is chloroethane;N'-hydroxybutanediamide.
What is the SMILES notation for chloroethane;N'-hydroxybutanediamide?
The canonical SMILES for chloroethane;N'-hydroxybutanediamide is CCCl.NC(=O)CCC(=O)NO.
What is the InChIKey of chloroethane;N'-hydroxybutanediamide?
The InChIKey is AFZHOJFXGDPNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3.C2H5Cl/c5-3(7)1-2-4(8)6-9;1-2-3/h9H,1-2H2,(H2,5,7)(H,6,8);2H2,1H3.
What are the key properties of chloroethane;N'-hydroxybutanediamide?
chloroethane;N'-hydroxybutanediamide has a molecular weight of 196.63 g/mol, XLogP of 0.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethane;N'-hydroxybutanediamide is sourced from PubChem (CID 174689229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).