2-(3-fluorophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide

C15H22FNO2 — CID 103899330

IUPAC2-(3-fluorophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
SMILESCC(C)(CCCO)CNC(=O)Cc1cccc(F)c1
InChIInChI=1S/C15H22FNO2/c1-15(2,7-4-8-18)11-17-14(19)10-12-5-3-6-13(16)9-12/h3,5-6,9,18H,4,7-8,10-11H2,1-2H3,(H,17,19)
InChIKeyRJZBERAMGVEBNS-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.28
Rot. Bonds7

About 2-(3-fluorophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide

2-(3-fluorophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide (PubChem CID 103899330) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
PubChem CID103899330
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name2-(3-fluorophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
SMILESCC(C)(CCCO)CNC(=O)Cc1cccc(F)c1
InChIInChI=1S/C15H22FNO2/c1-15(2,7-4-8-18)11-17-14(19)10-12-5-3-6-13(16)9-12/h3,5-6,9,18H,4,7-8,10-11H2,1-2H3,(H,17,19)
InChIKeyRJZBERAMGVEBNS-UHFFFAOYSA-N
XLogP2.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-hydroxy-2,2-dimethylpentyl)-2-(3-methylphenyl)acetamide
CID 103899612
5-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897825
N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide
CID 103772365
2-(3-fluorophenyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 103712162
N-(5-hydroxy-2,2-dimethylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 103901151
4-[[2-(3-fluorophenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66002331
N-(5-hydroxy-2,2-dimethylpentyl)-2-thiophen-3-ylacetamide
CID 103899658
6-[[2-(3-fluorophenyl)acetyl]amino]-4,4-dimethylhexanoic acid
CID 65284126
N-(2-chloro-4,4-dimethylpentyl)-2-(3-fluorophenyl)acetamide
CID 107157057
2-fluoro-6-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 104920591
N-(5-amino-2,2-dimethylpentyl)-2-(2,4-difluorophenyl)acetamide
CID 106140618
N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-nitrophenyl)acetamide
CID 103772956

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide (CID 103899330) is 2-(3-fluorophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide is CC(C)(CCCO)CNC(=O)Cc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide?
The InChIKey is RJZBERAMGVEBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-15(2,7-4-8-18)11-17-14(19)10-12-5-3-6-13(16)9-12/h3,5-6,9,18H,4,7-8,10-11H2,1-2H3,(H,17,19).
What are the key properties of 2-(3-fluorophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide?
2-(3-fluorophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide has a molecular weight of 267.34 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide is sourced from PubChem (CID 103899330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).