2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(3-fluorophenyl)acetamide

C18H19BrFNO2 — CID 19202062

IUPAC2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(3-fluorophenyl)acetamide
SMILESCc1cc(OCC(=O)Nc2cccc(F)c2)c(C(C)C)cc1Br
InChIInChI=1S/C18H19BrFNO2/c1-11(2)15-9-16(19)12(3)7-17(15)23-10-18(22)21-14-6-4-5-13(20)8-14/h4-9,11H,10H2,1-3H3,(H,21,22)
InChIKeyRASULCGYQPXCKA-UHFFFAOYSA-N
MW380.26 g/mol
LogP5.04
Rot. Bonds5

About 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(3-fluorophenyl)acetamide

2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(3-fluorophenyl)acetamide (PubChem CID 19202062) has the molecular formula C18H19BrFNO2 and a molecular weight of 380.26 g/mol. Its IUPAC name is 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(3-fluorophenyl)acetamide
PubChem CID19202062
Molecular FormulaC18H19BrFNO2
Molecular Weight380.26 g/mol
Exact Mass379.06
IUPAC Name2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(3-fluorophenyl)acetamide
SMILESCc1cc(OCC(=O)Nc2cccc(F)c2)c(C(C)C)cc1Br
InChIInChI=1S/C18H19BrFNO2/c1-11(2)15-9-16(19)12(3)7-17(15)23-10-18(22)21-14-6-4-5-13(20)8-14/h4-9,11H,10H2,1-3H3,(H,21,22)
InChIKeyRASULCGYQPXCKA-UHFFFAOYSA-N
XLogP5.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.26
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(3-chloro-4-methylphenyl)acetamide
CID 19202385
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(4-ethoxyphenyl)acetamide
CID 3280740
methyl 4-[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 1013614
N-(4-bromo-3-methylphenyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7959173
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide
CID 19201698
N-(3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 682181
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 19202393
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 3380158
N-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
CID 17252223
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(1-phenylethyl)acetamide
CID 2792510
N-(4-bromo-3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1325958
N-(3-bromophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1181239

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(3-fluorophenyl)acetamide (CID 19202062) is 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(3-fluorophenyl)acetamide is Cc1cc(OCC(=O)Nc2cccc(F)c2)c(C(C)C)cc1Br.
What is the InChIKey of 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(3-fluorophenyl)acetamide?
The InChIKey is RASULCGYQPXCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFNO2/c1-11(2)15-9-16(19)12(3)7-17(15)23-10-18(22)21-14-6-4-5-13(20)8-14/h4-9,11H,10H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(3-fluorophenyl)acetamide?
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(3-fluorophenyl)acetamide has a molecular weight of 380.26 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 19202062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).