3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide

C7H14ClNO2 — CID 61251175

IUPAC3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
SMILESCC(C)(CO)NC(=O)CCCl
InChIInChI=1S/C7H14ClNO2/c1-7(2,5-10)9-6(11)3-4-8/h10H,3-5H2,1-2H3,(H,9,11)
InChIKeyQLEGGNHLHNTAJO-UHFFFAOYSA-N
MW179.65 g/mol
LogP0.50
Rot. Bonds4

About 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide

3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide (PubChem CID 61251175) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
PubChem CID61251175
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
SMILESCC(C)(CO)NC(=O)CCCl
InChIInChI=1S/C7H14ClNO2/c1-7(2,5-10)9-6(11)3-4-8/h10H,3-5H2,1-2H3,(H,9,11)
InChIKeyQLEGGNHLHNTAJO-UHFFFAOYSA-N
XLogP0.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
The IUPAC name of 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide (CID 61251175) is 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide.
What is the SMILES notation for 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
The canonical SMILES for 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide is CC(C)(CO)NC(=O)CCCl.
What is the InChIKey of 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
The InChIKey is QLEGGNHLHNTAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO2/c1-7(2,5-10)9-6(11)3-4-8/h10H,3-5H2,1-2H3,(H,9,11).
What are the key properties of 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide has a molecular weight of 179.65 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide is sourced from PubChem (CID 61251175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).