2-chloro-N-(2-hydroxyethyl)-2-methylbutanamide

C7H14ClNO2 — CID 134337619

IUPAC2-chloro-N-(2-hydroxyethyl)-2-methylbutanamide
SMILESCCC(C)(Cl)C(=O)NCCO
InChIInChI=1S/C7H14ClNO2/c1-3-7(2,8)6(11)9-4-5-10/h10H,3-5H2,1-2H3,(H,9,11)
InChIKeyPPORWGLBZCRHLL-UHFFFAOYSA-N
MW179.65 g/mol
LogP0.50
Rot. Bonds4

About 2-chloro-N-(2-hydroxyethyl)-2-methylbutanamide

2-chloro-N-(2-hydroxyethyl)-2-methylbutanamide (PubChem CID 134337619) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxyethyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxyethyl)-2-methylbutanamide
PubChem CID134337619
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name2-chloro-N-(2-hydroxyethyl)-2-methylbutanamide
SMILESCCC(C)(Cl)C(=O)NCCO
InChIInChI=1S/C7H14ClNO2/c1-3-7(2,8)6(11)9-4-5-10/h10H,3-5H2,1-2H3,(H,9,11)
InChIKeyPPORWGLBZCRHLL-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

N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 15074197
2-hydroxy-N-(2-hydroxyethyl)-2-methylpropanamide
CID 21330073
2-bromo-N-(2-hydroxyethyl)-2-methylpropanamide
CID 51711451
N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide
CID 166130930
2-chloro-2,3,3,3-tetrafluoro-N-(2-hydroxyethyl)propanamide
CID 3834959
2-amino-N-(2-hydroxyethyl)-2-methylpentanamide
CID 60847863
2,2-dichloro-N-(2-hydroxyethyl)acetamide
CID 5228722
(2S)-N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide
CID 143641934
3-hydroxy-2,2-dimethyl-N-propylpropanamide
CID 58461027
N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)oxy-2,2-dimethylbutanamide
CID 58881510
8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(2-hydroxyethyl)octanamide
CID 3090460
(2S)-2-tert-butyl-N-(2-hydroxyethyl)pentanamide
CID 155268171

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxyethyl)-2-methylbutanamide?
The IUPAC name of 2-chloro-N-(2-hydroxyethyl)-2-methylbutanamide (CID 134337619) is 2-chloro-N-(2-hydroxyethyl)-2-methylbutanamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxyethyl)-2-methylbutanamide?
The canonical SMILES for 2-chloro-N-(2-hydroxyethyl)-2-methylbutanamide is CCC(C)(Cl)C(=O)NCCO.
What is the InChIKey of 2-chloro-N-(2-hydroxyethyl)-2-methylbutanamide?
The InChIKey is PPORWGLBZCRHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO2/c1-3-7(2,8)6(11)9-4-5-10/h10H,3-5H2,1-2H3,(H,9,11).
What are the key properties of 2-chloro-N-(2-hydroxyethyl)-2-methylbutanamide?
2-chloro-N-(2-hydroxyethyl)-2-methylbutanamide 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 2-chloro-N-(2-hydroxyethyl)-2-methylbutanamide is sourced from PubChem (CID 134337619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).