2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-fluorophenyl)acetamide

C17H17BrFNO2 — CID 17188911

IUPAC2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-fluorophenyl)acetamide
SMILESCC(C)c1cc(Br)ccc1OCC(=O)Nc1ccccc1F
InChIInChI=1S/C17H17BrFNO2/c1-11(2)13-9-12(18)7-8-16(13)22-10-17(21)20-15-6-4-3-5-14(15)19/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyNAQUDCTYHHTPGR-UHFFFAOYSA-N
MW366.23 g/mol
LogP4.73
Rot. Bonds5

About 2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-fluorophenyl)acetamide

2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-fluorophenyl)acetamide (PubChem CID 17188911) has the molecular formula C17H17BrFNO2 and a molecular weight of 366.23 g/mol. Its IUPAC name is 2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-fluorophenyl)acetamide
PubChem CID17188911
Molecular FormulaC17H17BrFNO2
Molecular Weight366.23 g/mol
Exact Mass365.04
IUPAC Name2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-fluorophenyl)acetamide
SMILESCC(C)c1cc(Br)ccc1OCC(=O)Nc1ccccc1F
InChIInChI=1S/C17H17BrFNO2/c1-11(2)13-9-12(18)7-8-16(13)22-10-17(21)20-15-6-4-3-5-14(15)19/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyNAQUDCTYHHTPGR-UHFFFAOYSA-N
XLogP4.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 17188944
N-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
CID 17252223
2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 17188917
2-(4-bromo-2-propan-2-ylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17188921
N-[4-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-2,5-diethoxyphenyl]benzamide
CID 19203094
2-(4-bromo-2-propan-2-ylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 17188929
2-(2-bromo-4-chlorophenoxy)-N-(2-fluorophenyl)acetamide
CID 2627508
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 17188857
N'-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 17189087
2-(4-bromo-2-fluorophenoxy)-N-(2-ethylphenyl)acetamide
CID 26036611
N-[3-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 17189024
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetohydrazide
CID 17189105

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-fluorophenyl)acetamide (CID 17188911) is 2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-fluorophenyl)acetamide is CC(C)c1cc(Br)ccc1OCC(=O)Nc1ccccc1F.
What is the InChIKey of 2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-fluorophenyl)acetamide?
The InChIKey is NAQUDCTYHHTPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO2/c1-11(2)13-9-12(18)7-8-16(13)22-10-17(21)20-15-6-4-3-5-14(15)19/h3-9,11H,10H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-fluorophenyl)acetamide?
2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-fluorophenyl)acetamide has a molecular weight of 366.23 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 17188911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).