3-chloro-N-(diethylcarbamoyl)propanamide

C8H15ClN2O2 — CID 43146160

IUPAC3-chloro-N-(diethylcarbamoyl)propanamide
SMILESCCN(CC)C(=O)NC(=O)CCCl
InChIInChI=1S/C8H15ClN2O2/c1-3-11(4-2)8(13)10-7(12)5-6-9/h3-6H2,1-2H3,(H,10,12,13)
InChIKeyQDGAUDOXRCWPRV-UHFFFAOYSA-N
MW206.67 g/mol
LogP1.19
Rot. Bonds4

About 3-chloro-N-(diethylcarbamoyl)propanamide

3-chloro-N-(diethylcarbamoyl)propanamide (PubChem CID 43146160) has the molecular formula C8H15ClN2O2 and a molecular weight of 206.67 g/mol. Its IUPAC name is 3-chloro-N-(diethylcarbamoyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(diethylcarbamoyl)propanamide
PubChem CID43146160
Molecular FormulaC8H15ClN2O2
Molecular Weight206.67 g/mol
Exact Mass206.08
IUPAC Name3-chloro-N-(diethylcarbamoyl)propanamide
SMILESCCN(CC)C(=O)NC(=O)CCCl
InChIInChI=1S/C8H15ClN2O2/c1-3-11(4-2)8(13)10-7(12)5-6-9/h3-6H2,1-2H3,(H,10,12,13)
InChIKeyQDGAUDOXRCWPRV-UHFFFAOYSA-N
XLogP1.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(diethylcarbamoyl)propanamide?
The IUPAC name of 3-chloro-N-(diethylcarbamoyl)propanamide (CID 43146160) is 3-chloro-N-(diethylcarbamoyl)propanamide.
What is the SMILES notation for 3-chloro-N-(diethylcarbamoyl)propanamide?
The canonical SMILES for 3-chloro-N-(diethylcarbamoyl)propanamide is CCN(CC)C(=O)NC(=O)CCCl.
What is the InChIKey of 3-chloro-N-(diethylcarbamoyl)propanamide?
The InChIKey is QDGAUDOXRCWPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O2/c1-3-11(4-2)8(13)10-7(12)5-6-9/h3-6H2,1-2H3,(H,10,12,13).
What are the key properties of 3-chloro-N-(diethylcarbamoyl)propanamide?
3-chloro-N-(diethylcarbamoyl)propanamide has a molecular weight of 206.67 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(diethylcarbamoyl)propanamide is sourced from PubChem (CID 43146160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).