2-(4-bromophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide

C14H18BrNO3 — CID 40636423

IUPAC2-(4-bromophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
SMILESC[C@@H](NC(=O)COc1ccc(Br)cc1)[C@H]1CCCO1
InChIInChI=1S/C14H18BrNO3/c1-10(13-3-2-8-18-13)16-14(17)9-19-12-6-4-11(15)5-7-12/h4-7,10,13H,2-3,8-9H2,1H3,(H,16,17)/t10-,13-/m1/s1
InChIKeyOTPNPJIEBQCWGN-ZWNOBZJWSA-N
MW328.21 g/mol
LogP2.51
Rot. Bonds5

About 2-(4-bromophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide

2-(4-bromophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide (PubChem CID 40636423) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
PubChem CID40636423
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Name2-(4-bromophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
SMILESC[C@@H](NC(=O)COc1ccc(Br)cc1)[C@H]1CCCO1
InChIInChI=1S/C14H18BrNO3/c1-10(13-3-2-8-18-13)16-14(17)9-19-12-6-4-11(15)5-7-12/h4-7,10,13H,2-3,8-9H2,1H3,(H,16,17)/t10-,13-/m1/s1
InChIKeyOTPNPJIEBQCWGN-ZWNOBZJWSA-N
XLogP2.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(oxolan-2-yl)ethyl]-2-(4-phenylphenoxy)acetamide
CID 6468778
2-(4-bromo-2-chlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 2970318
N-[1-(oxolan-2-yl)ethyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 43067366
4-ethoxy-N-[2-oxo-2-[1-(oxolan-2-yl)ethylamino]ethyl]benzamide
CID 43067377
2-[2-(aminomethyl)phenoxy]-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533761
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 35266239
2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 42563052
2-(4-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533745
2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide
CID 888398
2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide
CID 112789363
2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 29038254
2-(2-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533746

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide (CID 40636423) is 2-(4-bromophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide is C[C@@H](NC(=O)COc1ccc(Br)cc1)[C@H]1CCCO1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide?
The InChIKey is OTPNPJIEBQCWGN-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-10(13-3-2-8-18-13)16-14(17)9-19-12-6-4-11(15)5-7-12/h4-7,10,13H,2-3,8-9H2,1H3,(H,16,17)/t10-,13-/m1/s1.
What are the key properties of 2-(4-bromophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide?
2-(4-bromophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide has a molecular weight of 328.21 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide is sourced from PubChem (CID 40636423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).