3-[1-(4-fluorophenyl)pentylamino]-2,2-dimethylpropanamide

C16H25FN2O — CID 103917130

IUPAC3-[1-(4-fluorophenyl)pentylamino]-2,2-dimethylpropanamide
SMILESCCCCC(NCC(C)(C)C(N)=O)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2O/c1-4-5-6-14(12-7-9-13(17)10-8-12)19-11-16(2,3)15(18)20/h7-10,14,19H,4-6,11H2,1-3H3,(H2,18,20)
InChIKeyCNHBXUBFTOCOCK-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.16
Rot. Bonds8

About 3-[1-(4-fluorophenyl)pentylamino]-2,2-dimethylpropanamide

3-[1-(4-fluorophenyl)pentylamino]-2,2-dimethylpropanamide (PubChem CID 103917130) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)pentylamino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)pentylamino]-2,2-dimethylpropanamide
PubChem CID103917130
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name3-[1-(4-fluorophenyl)pentylamino]-2,2-dimethylpropanamide
SMILESCCCCC(NCC(C)(C)C(N)=O)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2O/c1-4-5-6-14(12-7-9-13(17)10-8-12)19-11-16(2,3)15(18)20/h7-10,14,19H,4-6,11H2,1-3H3,(H2,18,20)
InChIKeyCNHBXUBFTOCOCK-UHFFFAOYSA-N
XLogP3.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-(1-phenylhexylamino)propanamide
CID 103917134
2-[1-(4-fluorophenyl)pentylamino]-N-methylacetamide
CID 43310401
1-(4-fluorophenyl)pentylhydrazine
CID 53402329
1,1,1-trifluoro-3-[1-(4-fluorophenyl)pentylamino]propan-2-ol
CID 103778683
N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-1-amine
CID 103780964
2-[1-(4-fluorophenyl)pentylamino]-N-(2-methylpropyl)acetamide
CID 115920167
1-(4-fluorophenyl)-N-(3-methylsulfinylpropyl)pentan-1-amine
CID 115721013
4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43107477
1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine
CID 43111233
1-[[1-(4-fluorophenyl)pentylamino]methyl]cyclopentan-1-ol
CID 65105165
1-(4-fluorophenyl)undecylhydrazine
CID 105192861
1-(4-fluorophenyl)-N-methoxypentan-1-amine
CID 82706495

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)pentylamino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[1-(4-fluorophenyl)pentylamino]-2,2-dimethylpropanamide (CID 103917130) is 3-[1-(4-fluorophenyl)pentylamino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[1-(4-fluorophenyl)pentylamino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[1-(4-fluorophenyl)pentylamino]-2,2-dimethylpropanamide is CCCCC(NCC(C)(C)C(N)=O)c1ccc(F)cc1.
What is the InChIKey of 3-[1-(4-fluorophenyl)pentylamino]-2,2-dimethylpropanamide?
The InChIKey is CNHBXUBFTOCOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-4-5-6-14(12-7-9-13(17)10-8-12)19-11-16(2,3)15(18)20/h7-10,14,19H,4-6,11H2,1-3H3,(H2,18,20).
What are the key properties of 3-[1-(4-fluorophenyl)pentylamino]-2,2-dimethylpropanamide?
3-[1-(4-fluorophenyl)pentylamino]-2,2-dimethylpropanamide has a molecular weight of 280.39 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)pentylamino]-2,2-dimethylpropanamide is sourced from PubChem (CID 103917130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).