(2R)-2-chloro-N,N-diethylpropanamide

C7H14ClNO — CID 13318792

IUPAC(2R)-2-chloro-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)[C@@H](C)Cl
InChIInChI=1S/C7H14ClNO/c1-4-9(5-2)7(10)6(3)8/h6H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyWORKHWHULFDZDE-ZCFIWIBFSA-N
MW163.65 g/mol
LogP1.48
Rot. Bonds3

About (2R)-2-chloro-N,N-diethylpropanamide

(2R)-2-chloro-N,N-diethylpropanamide (PubChem CID 13318792) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is (2R)-2-chloro-N,N-diethylpropanamide.

Molecular Properties

Compound Name(2R)-2-chloro-N,N-diethylpropanamide
PubChem CID13318792
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name(2R)-2-chloro-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)[C@@H](C)Cl
InChIInChI=1S/C7H14ClNO/c1-4-9(5-2)7(10)6(3)8/h6H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyWORKHWHULFDZDE-ZCFIWIBFSA-N
XLogP1.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2R)-2-chloro-N,N-diethylpropanamide?
The IUPAC name of (2R)-2-chloro-N,N-diethylpropanamide (CID 13318792) is (2R)-2-chloro-N,N-diethylpropanamide.
What is the SMILES notation for (2R)-2-chloro-N,N-diethylpropanamide?
The canonical SMILES for (2R)-2-chloro-N,N-diethylpropanamide is CCN(CC)C(=O)[C@@H](C)Cl.
What is the InChIKey of (2R)-2-chloro-N,N-diethylpropanamide?
The InChIKey is WORKHWHULFDZDE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14ClNO/c1-4-9(5-2)7(10)6(3)8/h6H,4-5H2,1-3H3/t6-/m1/s1.
What are the key properties of (2R)-2-chloro-N,N-diethylpropanamide?
(2R)-2-chloro-N,N-diethylpropanamide has a molecular weight of 163.65 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-N,N-diethylpropanamide is sourced from PubChem (CID 13318792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).