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

C18H20BrNO2 — CID 4781197

IUPAC2-(2-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)COc1ccccc1Br
InChIInChI=1S/C18H20BrNO2/c1-14(11-12-15-7-3-2-4-8-15)20-18(21)13-22-17-10-6-5-9-16(17)19/h2-10,14H,11-13H2,1H3,(H,20,21)
InChIKeyHRPJEJDWJBPSFL-UHFFFAOYSA-N
MW362.27 g/mol
LogP3.97
Rot. Bonds7

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

2-(2-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 4781197) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
PubChem CID4781197
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name2-(2-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)COc1ccccc1Br
InChIInChI=1S/C18H20BrNO2/c1-14(11-12-15-7-3-2-4-8-15)20-18(21)13-22-17-10-6-5-9-16(17)19/h2-10,14H,11-13H2,1H3,(H,20,21)
InChIKeyHRPJEJDWJBPSFL-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-(2-bromo-4-chlorophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 4217698
3-[[2-(2-bromophenoxy)acetyl]amino]butanoic acid
CID 120522773
2-(2-bromophenoxy)-N-butan-2-ylacetamide
CID 19170000
2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 16552551
2-(4-bromo-2-formylphenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7820162
2-[2-(methylamino)-2-oxoethoxy]-N-(4-phenylbutan-2-yl)benzamide
CID 2996779
methyl 3-methoxy-4-[2-oxo-2-(4-phenylbutan-2-ylamino)ethoxy]benzoate
CID 17438151
2-[(2-phenoxyacetyl)amino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2128560
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7167774
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-bromobenzoate
CID 2625768
2-(2-bromophenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 17326940

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide (CID 4781197) is 2-(2-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)COc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is HRPJEJDWJBPSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-14(11-12-15-7-3-2-4-8-15)20-18(21)13-22-17-10-6-5-9-16(17)19/h2-10,14H,11-13H2,1H3,(H,20,21).
What are the key properties of 2-(2-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide?
2-(2-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-(2-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 4781197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).