3-(4-fluorophenyl)-4,4-dimethylpentanamide

C13H18FNO — CID 82080473

IUPAC3-(4-fluorophenyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)C(CC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO/c1-13(2,3)11(8-12(15)16)9-4-6-10(14)7-5-9/h4-7,11H,8H2,1-3H3,(H2,15,16)
InChIKeyCIOUCTBTILUJQN-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.83
Rot. Bonds3

About 3-(4-fluorophenyl)-4,4-dimethylpentanamide

3-(4-fluorophenyl)-4,4-dimethylpentanamide (PubChem CID 82080473) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4,4-dimethylpentanamide
PubChem CID82080473
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name3-(4-fluorophenyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)C(CC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO/c1-13(2,3)11(8-12(15)16)9-4-6-10(14)7-5-9/h4-7,11H,8H2,1-3H3,(H2,15,16)
InChIKeyCIOUCTBTILUJQN-UHFFFAOYSA-N
XLogP2.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-(4-fluorophenyl)-4-methoxy-4-methylpentanamide
CID 158718442
3-(3,4-difluorophenyl)-4,4-dimethylpentanamide
CID 82084654
3-(4-fluorophenyl)-N,4,4-trimethylpentanamide
CID 82083910
2-(4-fluorophenyl)butanediamide
CID 69053213
3-(4-fluorophenyl)-3-methoxypropanamide
CID 69418867
(3R,4R)-4-(4-fluorophenyl)-4-hydroxy-3-methylbutanamide
CID 163672048
2-[[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]acetamide
CID 94197027
1-(2,2-dimethylheptan-3-yl)-4-fluorobenzene
CID 21304853
3-(4-fluorophenyl)-3-(propylamino)propanamide
CID 65235429
3-(4-fluorophenyl)-3-(methoxymethoxy)propanamide
CID 69414023
3-(4-hydroxyphenyl)-4,4-dimethylpentanehydrazide
CID 150728986
(2-amino-2-oxoethyl)-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133208

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4,4-dimethylpentanamide?
The IUPAC name of 3-(4-fluorophenyl)-4,4-dimethylpentanamide (CID 82080473) is 3-(4-fluorophenyl)-4,4-dimethylpentanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-4,4-dimethylpentanamide?
The canonical SMILES for 3-(4-fluorophenyl)-4,4-dimethylpentanamide is CC(C)(C)C(CC(N)=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4,4-dimethylpentanamide?
The InChIKey is CIOUCTBTILUJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-13(2,3)11(8-12(15)16)9-4-6-10(14)7-5-9/h4-7,11H,8H2,1-3H3,(H2,15,16).
What are the key properties of 3-(4-fluorophenyl)-4,4-dimethylpentanamide?
3-(4-fluorophenyl)-4,4-dimethylpentanamide has a molecular weight of 223.29 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 82080473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).