2-chloro-N-[(2S)-pentan-2-yl]acetamide

C7H14ClNO — CID 2384211

IUPAC2-chloro-N-[(2S)-pentan-2-yl]acetamide
SMILESCCC[C@H](C)NC(=O)CCl
InChIInChI=1S/C7H14ClNO/c1-3-4-6(2)9-7(10)5-8/h6H,3-5H2,1-2H3,(H,9,10)/t6-/m0/s1
InChIKeyHPHVAPYQLXDAKA-LURJTMIESA-N
MW163.65 g/mol
LogP1.53
Rot. Bonds4

About 2-chloro-N-[(2S)-pentan-2-yl]acetamide

2-chloro-N-[(2S)-pentan-2-yl]acetamide (PubChem CID 2384211) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-pentan-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-pentan-2-yl]acetamide
PubChem CID2384211
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name2-chloro-N-[(2S)-pentan-2-yl]acetamide
SMILESCCC[C@H](C)NC(=O)CCl
InChIInChI=1S/C7H14ClNO/c1-3-4-6(2)9-7(10)5-8/h6H,3-5H2,1-2H3,(H,9,10)/t6-/m0/s1
InChIKeyHPHVAPYQLXDAKA-LURJTMIESA-N
XLogP1.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 51.53
H-Bond Donors ≤ 51
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 2-chloro-N-[(2S)-pentan-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[(2S)-pentan-2-yl]acetamide (CID 2384211) is 2-chloro-N-[(2S)-pentan-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2S)-pentan-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[(2S)-pentan-2-yl]acetamide is CCC[C@H](C)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[(2S)-pentan-2-yl]acetamide?
The InChIKey is HPHVAPYQLXDAKA-LURJTMIESA-N. The full InChI is InChI=1S/C7H14ClNO/c1-3-4-6(2)9-7(10)5-8/h6H,3-5H2,1-2H3,(H,9,10)/t6-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-pentan-2-yl]acetamide?
2-chloro-N-[(2S)-pentan-2-yl]acetamide has a molecular weight of 163.65 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-pentan-2-yl]acetamide is sourced from PubChem (CID 2384211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).