2-(4-bromophenyl)-2-hydroxy-N-[2-(oxan-2-yl)ethyl]acetamide

C15H20BrNO3 — CID 75518879

IUPAC2-(4-bromophenyl)-2-hydroxy-N-[2-(oxan-2-yl)ethyl]acetamide
SMILESO=C(NCCC1CCCCO1)C(O)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrNO3/c16-12-6-4-11(5-7-12)14(18)15(19)17-9-8-13-3-1-2-10-20-13/h4-7,13-14,18H,1-3,8-10H2,(H,17,19)
InChIKeyIAAHVWRFPLXCFK-UHFFFAOYSA-N
MW342.23 g/mol
LogP2.56
Rot. Bonds5

About 2-(4-bromophenyl)-2-hydroxy-N-[2-(oxan-2-yl)ethyl]acetamide

2-(4-bromophenyl)-2-hydroxy-N-[2-(oxan-2-yl)ethyl]acetamide (PubChem CID 75518879) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-hydroxy-N-[2-(oxan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-hydroxy-N-[2-(oxan-2-yl)ethyl]acetamide
PubChem CID75518879
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC Name2-(4-bromophenyl)-2-hydroxy-N-[2-(oxan-2-yl)ethyl]acetamide
SMILESO=C(NCCC1CCCCO1)C(O)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrNO3/c16-12-6-4-11(5-7-12)14(18)15(19)17-9-8-13-3-1-2-10-20-13/h4-7,13-14,18H,1-3,8-10H2,(H,17,19)
InChIKeyIAAHVWRFPLXCFK-UHFFFAOYSA-N
XLogP2.56
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(oxan-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 114136015
4-[2-(oxan-2-yl)ethylcarbamoyl]benzoic acid
CID 106704122
3-amino-N-[2-(oxolan-2-yl)ethyl]-2-phenylpropanamide
CID 62878363
1-(4-hydroxy-4-phenylbutan-2-yl)-3-[2-(oxan-2-yl)ethyl]urea
CID 110025026
2-bromo-N-[2-(oxolan-2-yl)ethyl]butanamide
CID 62856863
1-(4-bromophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65154712
4-amino-N-[2-(oxan-2-yl)ethyl]benzamide
CID 83633238
1-(4-bromophenyl)-4-(oxan-2-yl)butan-2-one
CID 63952355
N-(5-bromo-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63940200
2-ethyl-N-[2-(oxolan-2-yl)ethyl]butanamide
CID 110731236
2-bromo-5-chloro-N-[2-(oxan-2-yl)ethyl]benzamide
CID 113362862
3-(oxan-2-yl)-1-(4-propan-2-ylphenyl)propan-1-one
CID 63953733

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-hydroxy-N-[2-(oxan-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-2-hydroxy-N-[2-(oxan-2-yl)ethyl]acetamide (CID 75518879) is 2-(4-bromophenyl)-2-hydroxy-N-[2-(oxan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-2-hydroxy-N-[2-(oxan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-2-hydroxy-N-[2-(oxan-2-yl)ethyl]acetamide is O=C(NCCC1CCCCO1)C(O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-hydroxy-N-[2-(oxan-2-yl)ethyl]acetamide?
The InChIKey is IAAHVWRFPLXCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c16-12-6-4-11(5-7-12)14(18)15(19)17-9-8-13-3-1-2-10-20-13/h4-7,13-14,18H,1-3,8-10H2,(H,17,19).
What are the key properties of 2-(4-bromophenyl)-2-hydroxy-N-[2-(oxan-2-yl)ethyl]acetamide?
2-(4-bromophenyl)-2-hydroxy-N-[2-(oxan-2-yl)ethyl]acetamide has a molecular weight of 342.23 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-hydroxy-N-[2-(oxan-2-yl)ethyl]acetamide is sourced from PubChem (CID 75518879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).