2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)acetamide

C7H12BrNO2 — CID 63679872

IUPAC2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)acetamide
SMILESO=C(CBr)N(CCO)C1CC1
InChIInChI=1S/C7H12BrNO2/c8-5-7(11)9(3-4-10)6-1-2-6/h6,10H,1-5H2
InChIKeyLPELXDDJAUPRIG-UHFFFAOYSA-N
MW222.08 g/mol
LogP0.36
Rot. Bonds4

About 2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)acetamide

2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)acetamide (PubChem CID 63679872) has the molecular formula C7H12BrNO2 and a molecular weight of 222.08 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)acetamide
PubChem CID63679872
Molecular FormulaC7H12BrNO2
Molecular Weight222.08 g/mol
Exact Mass221.01
IUPAC Name2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)acetamide
SMILESO=C(CBr)N(CCO)C1CC1
InChIInChI=1S/C7H12BrNO2/c8-5-7(11)9(3-4-10)6-1-2-6/h6,10H,1-5H2
InChIKeyLPELXDDJAUPRIG-UHFFFAOYSA-N
XLogP0.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.08
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-cyclobutyl-N-(2-hydroxyethyl)propanamide
CID 102861214
N,2-dicyclopropyl-N-(2-hydroxyethyl)acetamide
CID 43576624
2-bromo-N-cyclopropyl-N-(3-methylbutyl)acetamide
CID 63679316
N-cyclopropyl-2-(4,4-difluorocyclohexyl)-N-(2-hydroxyethyl)acetamide
CID 154866134
N-cyclobutyl-N-(2-hydroxyethyl)-2-sulfanylacetamide
CID 102875349
5-[cyclopropyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
CID 43578459
N-cyclobutyl-2-(dimethylamino)-N-(2-hydroxyethyl)acetamide
CID 102685214
2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)acetamide
CID 102684534
N-cyclopentyl-N-(2-hydroxyethyl)-3-oxobutanamide
CID 60952245
N-cyclopentyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide
CID 107026376
N-(2-bromoethyl)-N-cyclopropylpropanamide
CID 80665634
4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-3-methoxybutanamide
CID 103154406

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)acetamide (CID 63679872) is 2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)acetamide is O=C(CBr)N(CCO)C1CC1.
What is the InChIKey of 2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)acetamide?
The InChIKey is LPELXDDJAUPRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrNO2/c8-5-7(11)9(3-4-10)6-1-2-6/h6,10H,1-5H2.
What are the key properties of 2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)acetamide?
2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)acetamide has a molecular weight of 222.08 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 63679872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).