2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide

C18H20BrNO2 — CID 16552551

IUPAC2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C18H20BrNO2/c1-14(7-8-15-5-3-2-4-6-15)20-18(21)13-22-17-11-9-16(19)10-12-17/h2-6,9-12,14H,7-8,13H2,1H3,(H,20,21)
InChIKeyIQLCYOKRODQTGM-UHFFFAOYSA-N
MW362.27 g/mol
LogP3.97
Rot. Bonds7

About 2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide

2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 16552551) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
PubChem CID16552551
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C18H20BrNO2/c1-14(7-8-15-5-3-2-4-6-15)20-18(21)13-22-17-11-9-16(19)10-12-17/h2-6,9-12,14H,7-8,13H2,1H3,(H,20,21)
InChIKeyIQLCYOKRODQTGM-UHFFFAOYSA-N
XLogP3.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-cyanophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 3593728
2-[(2-phenoxyacetyl)amino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2128560
2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide
CID 112789363
2-(4-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2632338
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-bromobenzoate
CID 2625768
2-(2-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 4781197
(2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-(4-phenylbutan-2-yl)butanamide
CID 55944631
2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide
CID 888398
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-(4-methylphenoxy)acetate
CID 95795801
(2R)-2-(4-bromophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 26218057
2-(4-bromo-2-formylphenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7820162
2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 879347

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide (CID 16552551) is 2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)COc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is IQLCYOKRODQTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-14(7-8-15-5-3-2-4-6-15)20-18(21)13-22-17-11-9-16(19)10-12-17/h2-6,9-12,14H,7-8,13H2,1H3,(H,20,21).
What are the key properties of 2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide?
2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 362.27 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 16552551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).