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

C17H17BrFNO2 — CID 1317059

IUPAC2-(2-bromo-4-propan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1
InChIInChI=1S/C17H17BrFNO2/c1-11(2)12-3-8-16(15(18)9-12)22-10-17(21)20-14-6-4-13(19)5-7-14/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyZNLSRCKLSPZIHH-UHFFFAOYSA-N
MW366.23 g/mol
LogP4.73
Rot. Bonds5

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

2-(2-bromo-4-propan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide (PubChem CID 1317059) has the molecular formula C17H17BrFNO2 and a molecular weight of 366.23 g/mol. Its IUPAC name is 2-(2-bromo-4-propan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-propan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide
PubChem CID1317059
Molecular FormulaC17H17BrFNO2
Molecular Weight366.23 g/mol
Exact Mass365.04
IUPAC Name2-(2-bromo-4-propan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1
InChIInChI=1S/C17H17BrFNO2/c1-11(2)12-3-8-16(15(18)9-12)22-10-17(21)20-14-6-4-13(19)5-7-14/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyZNLSRCKLSPZIHH-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

N-[2-(3-bromophenoxy)-5-(trifluoromethyl)phenyl]-2-ethoxyacetamide
CID 1631654
N-(4-Isopropyl-phenyl)-2-phenoxy-acetamide
CID 690069
2-(3,4-dimethylphenoxy)-N-(2-fluorophenyl)acetamide
CID 723386
N-(4-acetamidophenyl)-2-(4-phenylphenoxy)acetamide
CID 1015551
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
2-(4-bromo-2-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 803111
2-(4-bromo-2-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 803500
N-2-biphenylyl-2-(4-methylphenoxy)acetamide
CID 879338
N-{4-[acetyl(methyl)amino]phenyl}-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013859
N-[(2-bromo-4-ethylphenoxy)acetyl]-N'-(2,4-dimethylphenyl)thiourea
CID 1015267
2-[4-(anilinomethyl)-2-bromo-6-ethoxyphenoxy]-N-(tert-butyl)acetamide
CID 1017320
4-{2-[(2-bromo-4-methylphenoxy)acetyl]hydrazino}-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5165670

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-propan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-propan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide (CID 1317059) is 2-(2-bromo-4-propan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-propan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-propan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide is CC(C)c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-propan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide?
The InChIKey is ZNLSRCKLSPZIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO2/c1-11(2)12-3-8-16(15(18)9-12)22-10-17(21)20-14-6-4-13(19)5-7-14/h3-9,11H,10H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-bromo-4-propan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide?
2-(2-bromo-4-propan-2-ylphenoxy)-N-(4-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-(2-bromo-4-propan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 1317059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).