N-(3-fluoro-5-pentan-2-ylphenyl)acetamide

C13H18FNO — CID 155396943

IUPACN-(3-fluoro-5-pentan-2-ylphenyl)acetamide
SMILESCCCC(C)c1cc(F)cc(NC(C)=O)c1
InChIInChI=1S/C13H18FNO/c1-4-5-9(2)11-6-12(14)8-13(7-11)15-10(3)16/h6-9H,4-5H2,1-3H3,(H,15,16)
InChIKeyPMLXYURQELIOLD-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.69
Rot. Bonds4

About N-(3-fluoro-5-pentan-2-ylphenyl)acetamide

N-(3-fluoro-5-pentan-2-ylphenyl)acetamide (PubChem CID 155396943) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-(3-fluoro-5-pentan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-fluoro-5-pentan-2-ylphenyl)acetamide
PubChem CID155396943
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-(3-fluoro-5-pentan-2-ylphenyl)acetamide
SMILESCCCC(C)c1cc(F)cc(NC(C)=O)c1
InChIInChI=1S/C13H18FNO/c1-4-5-9(2)11-6-12(14)8-13(7-11)15-10(3)16/h6-9H,4-5H2,1-3H3,(H,15,16)
InChIKeyPMLXYURQELIOLD-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-fluoro-5-propan-2-ylphenyl)acetamide
CID 139423265
3-fluoro-5-pentan-2-ylaniline
CID 135267020
N-(3,5-difluorophenyl)butanamide
CID 17271988
2-[2-(3,5-difluorophenyl)propylamino]pentanoic acid
CID 122039739
1-(3-butan-2-yl-5-fluorophenyl)ethanone
CID 143473995
N-(3,5-difluorophenyl)-3-methylbutanamide
CID 2987889
N-(3,5-diacetamidophenyl)acetamide
CID 12731559
N-(3,5-difluorophenyl)-3-oxobutanamide
CID 18072687
N-[4-(pentan-2-ylamino)phenyl]acetamide
CID 43190900
(2S)-N-(4-acetamidophenyl)-2-methylpentanamide
CID 670216
3-acetamido-5-fluoro-N-hydroxybenzamide
CID 87663336
(2R)-2-amino-N-(3-fluoro-5-methoxyphenyl)pentanamide
CID 113264156

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-pentan-2-ylphenyl)acetamide?
The IUPAC name of N-(3-fluoro-5-pentan-2-ylphenyl)acetamide (CID 155396943) is N-(3-fluoro-5-pentan-2-ylphenyl)acetamide.
What is the SMILES notation for N-(3-fluoro-5-pentan-2-ylphenyl)acetamide?
The canonical SMILES for N-(3-fluoro-5-pentan-2-ylphenyl)acetamide is CCCC(C)c1cc(F)cc(NC(C)=O)c1.
What is the InChIKey of N-(3-fluoro-5-pentan-2-ylphenyl)acetamide?
The InChIKey is PMLXYURQELIOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-4-5-9(2)11-6-12(14)8-13(7-11)15-10(3)16/h6-9H,4-5H2,1-3H3,(H,15,16).
What are the key properties of N-(3-fluoro-5-pentan-2-ylphenyl)acetamide?
N-(3-fluoro-5-pentan-2-ylphenyl)acetamide has a molecular weight of 223.29 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-pentan-2-ylphenyl)acetamide is sourced from PubChem (CID 155396943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).