2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide

C16H16BrNO2 — CID 879347

IUPAC2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)COc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C16H16BrNO2/c1-12(13-5-3-2-4-6-13)18-16(19)11-20-15-9-7-14(17)8-10-15/h2-10,12H,11H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyJVYLBYDIKCJHHZ-LBPRGKRZSA-N
MW334.21 g/mol
LogP3.71
Rot. Bonds5

About 2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide

2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 879347) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
PubChem CID879347
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)COc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C16H16BrNO2/c1-12(13-5-3-2-4-6-13)18-16(19)11-20-15-9-7-14(17)8-10-15/h2-10,12H,11H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyJVYLBYDIKCJHHZ-LBPRGKRZSA-N
XLogP3.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide
CID 9218863
2-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 836085
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7948935
2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 2711808
4-[[2-(4-bromophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43887517
N-[1-(3-acetamidophenyl)ethyl]-2-(4-bromophenoxy)acetamide
CID 46580359
2-(3-bromophenoxy)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 7948924
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-bromobenzoate
CID 2625805
2-bromo-N-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]benzamide
CID 4793445
N-[1-(4-bromophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide
CID 78760781
2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 16552551
2-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 8856625

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide (CID 879347) is 2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide is C[C@H](NC(=O)COc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is JVYLBYDIKCJHHZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-12(13-5-3-2-4-6-13)18-16(19)11-20-15-9-7-14(17)8-10-15/h2-10,12H,11H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of 2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide?
2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 334.21 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 879347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).