2-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide

C14H14BrNO3 — CID 8856625

IUPAC2-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
SMILESC[C@H](NC(=O)COc1ccc(Br)cc1)c1ccco1
InChIInChI=1S/C14H14BrNO3/c1-10(13-3-2-8-18-13)16-14(17)9-19-12-6-4-11(15)5-7-12/h2-8,10H,9H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyAFZRXHSUPHBAII-JTQLQIEISA-N
MW324.17 g/mol
LogP3.30
Rot. Bonds5

About 2-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide

2-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide (PubChem CID 8856625) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
PubChem CID8856625
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name2-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
SMILESC[C@H](NC(=O)COc1ccc(Br)cc1)c1ccco1
InChIInChI=1S/C14H14BrNO3/c1-10(13-3-2-8-18-13)16-14(17)9-19-12-6-4-11(15)5-7-12/h2-8,10H,9H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyAFZRXHSUPHBAII-JTQLQIEISA-N
XLogP3.30
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]butanamide
CID 9481896
2-(3-bromophenoxy)-N-[1-(furan-2-yl)ethyl]acetamide
CID 18196815
2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 879347
N-[(1R)-1-(furan-2-yl)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 51574808
2-(4-bromo-2-formylphenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 9007049
N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 8882715
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940583
N-[(1S)-1-(furan-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 9481831
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide
CID 9218863
2-(2-chlorophenoxy)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 9011821
2-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 81408914
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7948935

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide (CID 8856625) is 2-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide is C[C@H](NC(=O)COc1ccc(Br)cc1)c1ccco1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide?
The InChIKey is AFZRXHSUPHBAII-JTQLQIEISA-N. The full InChI is InChI=1S/C14H14BrNO3/c1-10(13-3-2-8-18-13)16-14(17)9-19-12-6-4-11(15)5-7-12/h2-8,10H,9H2,1H3,(H,16,17)/t10-/m0/s1.
What are the key properties of 2-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide?
2-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide has a molecular weight of 324.17 g/mol, XLogP of 3.30, 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-[(1S)-1-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 8856625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).