2-(5-bromo-2-fluorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide

C14H19BrFNO2 — CID 110002590

IUPAC2-(5-bromo-2-fluorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
SMILESCCC(C)(CCO)NC(=O)Cc1cc(Br)ccc1F
InChIInChI=1S/C14H19BrFNO2/c1-3-14(2,6-7-18)17-13(19)9-10-8-11(15)4-5-12(10)16/h4-5,8,18H,3,6-7,9H2,1-2H3,(H,17,19)
InChIKeyYKXQVYQWQMTZIR-UHFFFAOYSA-N
MW332.21 g/mol
LogP2.80
Rot. Bonds6

About 2-(5-bromo-2-fluorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide

2-(5-bromo-2-fluorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide (PubChem CID 110002590) has the molecular formula C14H19BrFNO2 and a molecular weight of 332.21 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
PubChem CID110002590
Molecular FormulaC14H19BrFNO2
Molecular Weight332.21 g/mol
Exact Mass331.06
IUPAC Name2-(5-bromo-2-fluorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
SMILESCCC(C)(CCO)NC(=O)Cc1cc(Br)ccc1F
InChIInChI=1S/C14H19BrFNO2/c1-3-14(2,6-7-18)17-13(19)9-10-8-11(15)4-5-12(10)16/h4-5,8,18H,3,6-7,9H2,1-2H3,(H,17,19)
InChIKeyYKXQVYQWQMTZIR-UHFFFAOYSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-bromo-2-fluorophenyl)methylamino]-3-methylpentan-1-ol
CID 103768781
2-(5-chloro-2-methoxyphenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945956
3,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 113356518
N-(1-chloro-3-methylpentan-3-yl)-2-(2-fluorophenyl)acetamide
CID 114153124
3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103946097
4-chloro-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 110002687
2-(4-bromo-2-methylphenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide
CID 86798561
2-(4-acetamidophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103946030
4-bromo-N-(1-bromo-3-methylpentan-3-yl)-2-fluorobenzamide
CID 106169569
2,4,5-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 110002324
N-(1-amino-3-methylpentan-3-yl)-2-(4-fluorophenyl)acetamide
CID 114152519
N-(1-hydroxy-3-methylpentan-3-yl)propanamide
CID 103946136

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide (CID 110002590) is 2-(5-bromo-2-fluorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide is CCC(C)(CCO)NC(=O)Cc1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide?
The InChIKey is YKXQVYQWQMTZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO2/c1-3-14(2,6-7-18)17-13(19)9-10-8-11(15)4-5-12(10)16/h4-5,8,18H,3,6-7,9H2,1-2H3,(H,17,19).
What are the key properties of 2-(5-bromo-2-fluorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide?
2-(5-bromo-2-fluorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide has a molecular weight of 332.21 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide is sourced from PubChem (CID 110002590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).