2-chloro-N-[2-oxo-2-(propylamino)ethyl]propanamide

C8H15ClN2O2 — CID 43567045

IUPAC2-chloro-N-[2-oxo-2-(propylamino)ethyl]propanamide
SMILESCCCNC(=O)CNC(=O)C(C)Cl
InChIInChI=1S/C8H15ClN2O2/c1-3-4-10-7(12)5-11-8(13)6(2)9/h6H,3-5H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyWWHIOTXVNZBGMD-UHFFFAOYSA-N
MW206.67 g/mol
LogP0.26
Rot. Bonds5

About 2-chloro-N-[2-oxo-2-(propylamino)ethyl]propanamide

2-chloro-N-[2-oxo-2-(propylamino)ethyl]propanamide (PubChem CID 43567045) has the molecular formula C8H15ClN2O2 and a molecular weight of 206.67 g/mol. Its IUPAC name is 2-chloro-N-[2-oxo-2-(propylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[2-oxo-2-(propylamino)ethyl]propanamide
PubChem CID43567045
Molecular FormulaC8H15ClN2O2
Molecular Weight206.67 g/mol
Exact Mass206.08
IUPAC Name2-chloro-N-[2-oxo-2-(propylamino)ethyl]propanamide
SMILESCCCNC(=O)CNC(=O)C(C)Cl
InChIInChI=1S/C8H15ClN2O2/c1-3-4-10-7(12)5-11-8(13)6(2)9/h6H,3-5H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyWWHIOTXVNZBGMD-UHFFFAOYSA-N
XLogP0.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[2-oxo-2-(propylamino)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-2-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 62729229
2-bromo-3-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 43567046
N-propyl-2-(propylcarbamoylamino)acetamide
CID 115571904
2-(3-methylbutan-2-ylamino)-N-propylacetamide
CID 43086366
2-chloro-N-[[2-(ethylamino)-2-oxoethyl]carbamoyl]propanamide
CID 43566494
N-(2-butoxyethyl)-2-chloropropanamide
CID 61177206
(2S)-N-(3-butoxypropyl)-2-chloropropanamide
CID 92660561
2-iodo-N-propylpropanamide
CID 64787589
2-[[(2S)-2-hydroxypropyl]amino]-N-propylacetamide
CID 106931868
2-(3-methylbutylamino)-N-propylacetamide
CID 28576469
2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid
CID 61201929
N-(2-aminoethyl)-2-chloropropanamide
CID 61250987

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-oxo-2-(propylamino)ethyl]propanamide?
The IUPAC name of 2-chloro-N-[2-oxo-2-(propylamino)ethyl]propanamide (CID 43567045) is 2-chloro-N-[2-oxo-2-(propylamino)ethyl]propanamide.
What is the SMILES notation for 2-chloro-N-[2-oxo-2-(propylamino)ethyl]propanamide?
The canonical SMILES for 2-chloro-N-[2-oxo-2-(propylamino)ethyl]propanamide is CCCNC(=O)CNC(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N-[2-oxo-2-(propylamino)ethyl]propanamide?
The InChIKey is WWHIOTXVNZBGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O2/c1-3-4-10-7(12)5-11-8(13)6(2)9/h6H,3-5H2,1-2H3,(H,10,12)(H,11,13).
What are the key properties of 2-chloro-N-[2-oxo-2-(propylamino)ethyl]propanamide?
2-chloro-N-[2-oxo-2-(propylamino)ethyl]propanamide has a molecular weight of 206.67 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-oxo-2-(propylamino)ethyl]propanamide is sourced from PubChem (CID 43567045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).