N-(3-chloropropyl)-N'-(2-hydroxyethyl)oxamide

C7H13ClN2O3 — CID 108513733

IUPACN-(3-chloropropyl)-N'-(2-hydroxyethyl)oxamide
SMILESO=C(NCCO)C(=O)NCCCCl
InChIInChI=1S/C7H13ClN2O3/c8-2-1-3-9-6(12)7(13)10-4-5-11/h11H,1-5H2,(H,9,12)(H,10,13)
InChIKeyAXWQRRNFGWFOOU-UHFFFAOYSA-N
MW208.64 g/mol
LogP-1.16
Rot. Bonds5

About N-(3-chloropropyl)-N'-(2-hydroxyethyl)oxamide

N-(3-chloropropyl)-N'-(2-hydroxyethyl)oxamide (PubChem CID 108513733) has the molecular formula C7H13ClN2O3 and a molecular weight of 208.64 g/mol. Its IUPAC name is N-(3-chloropropyl)-N'-(2-hydroxyethyl)oxamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-N'-(2-hydroxyethyl)oxamide
PubChem CID108513733
Molecular FormulaC7H13ClN2O3
Molecular Weight208.64 g/mol
Exact Mass208.06
IUPAC NameN-(3-chloropropyl)-N'-(2-hydroxyethyl)oxamide
SMILESO=C(NCCO)C(=O)NCCCCl
InChIInChI=1S/C7H13ClN2O3/c8-2-1-3-9-6(12)7(13)10-4-5-11/h11H,1-5H2,(H,9,12)(H,10,13)
InChIKeyAXWQRRNFGWFOOU-UHFFFAOYSA-N
XLogP-1.16
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.64
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chloropropyl)-N-pentyloxamide
CID 108513677
N-(3-chloropropyl)-N'-(2-hydroxyethyl)-N'-methyloxamide
CID 108513721
3-chloropropylurea
CID 6421120
N'-(2-chloroethyl)-N-[3-(dimethylamino)propyl]oxamide
CID 108513916
N-(2-acetamidoethyl)-N'-(2-hydroxyethyl)oxamide
CID 108527985
N-(3-chloropropyl)-N'-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503020
N-(3-chloropropyl)-N'-(2,6-difluorophenyl)oxamide
CID 108513680
N-(3-chloropropyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512188
N-(3-chloropropyl)-N'-(piperidine-4-carbonyl)oxamide
CID 108513799
N'-cyclododecyl-N-(2-hydroxyethyl)oxamide
CID 108517410
N-(2-chloroethyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108514050
N-(3-chloropropyl)-N'-[(4-methoxyphenyl)methyl]oxamide
CID 108508151

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N'-(2-hydroxyethyl)oxamide?
The IUPAC name of N-(3-chloropropyl)-N'-(2-hydroxyethyl)oxamide (CID 108513733) is N-(3-chloropropyl)-N'-(2-hydroxyethyl)oxamide.
What is the SMILES notation for N-(3-chloropropyl)-N'-(2-hydroxyethyl)oxamide?
The canonical SMILES for N-(3-chloropropyl)-N'-(2-hydroxyethyl)oxamide is O=C(NCCO)C(=O)NCCCCl.
What is the InChIKey of N-(3-chloropropyl)-N'-(2-hydroxyethyl)oxamide?
The InChIKey is AXWQRRNFGWFOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClN2O3/c8-2-1-3-9-6(12)7(13)10-4-5-11/h11H,1-5H2,(H,9,12)(H,10,13).
What are the key properties of N-(3-chloropropyl)-N'-(2-hydroxyethyl)oxamide?
N-(3-chloropropyl)-N'-(2-hydroxyethyl)oxamide has a molecular weight of 208.64 g/mol, XLogP of -1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N'-(2-hydroxyethyl)oxamide is sourced from PubChem (CID 108513733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).