2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide

C7H14ClNO2 — CID 79249423

IUPAC2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(CO)NC(=O)CCl
InChIInChI=1S/C7H14ClNO2/c1-5(2)6(4-10)9-7(11)3-8/h5-6,10H,3-4H2,1-2H3,(H,9,11)
InChIKeyCSCZQRZJAAPOMS-UHFFFAOYSA-N
MW179.65 g/mol
LogP0.36
Rot. Bonds4

About 2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide

2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide (PubChem CID 79249423) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
PubChem CID79249423
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(CO)NC(=O)CCl
InChIInChI=1S/C7H14ClNO2/c1-5(2)6(4-10)9-7(11)3-8/h5-6,10H,3-4H2,1-2H3,(H,9,11)
InChIKeyCSCZQRZJAAPOMS-UHFFFAOYSA-N
XLogP0.36
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 ≤ 50.36
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

2-chloro-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103881700
N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 74554703
2-chloro-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 55298424
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(propan-2-ylamino)propanamide
CID 79249728
3-amino-N-(1-hydroxy-3-methylbutan-2-yl)butanamide
CID 79249380
N-(1-hydroxy-3-methylbutan-2-yl)-2-(propylamino)acetamide
CID 79249827
[(2S)-2-[(2-chloroacetyl)amino]-3-methylbutyl] 2-chloroacetate
CID 44889096
3-(tert-butylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 79248825
2-chloro-N-[(2S)-4-hydroxybutan-2-yl]acetamide
CID 155389000
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide
CID 39086818
N-(1-hydroxy-3-methylbutan-2-yl)-3-methoxypropanamide
CID 79252546
3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide
CID 79249535

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide (CID 79249423) is 2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide is CC(C)C(CO)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
The InChIKey is CSCZQRZJAAPOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO2/c1-5(2)6(4-10)9-7(11)3-8/h5-6,10H,3-4H2,1-2H3,(H,9,11).
What are the key properties of 2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide has a molecular weight of 179.65 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 79249423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).