2-[1-(4-fluorophenyl)pentylamino]-N-methylacetamide

C14H21FN2O — CID 43310401

IUPAC2-[1-(4-fluorophenyl)pentylamino]-N-methylacetamide
SMILESCCCCC(NCC(=O)NC)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-3-4-5-13(17-10-14(18)16-2)11-6-8-12(15)9-7-11/h6-9,13,17H,3-5,10H2,1-2H3,(H,16,18)
InChIKeyNLNFRWBMDFJGBW-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.39
Rot. Bonds7

About 2-[1-(4-fluorophenyl)pentylamino]-N-methylacetamide

2-[1-(4-fluorophenyl)pentylamino]-N-methylacetamide (PubChem CID 43310401) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)pentylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)pentylamino]-N-methylacetamide
PubChem CID43310401
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-[1-(4-fluorophenyl)pentylamino]-N-methylacetamide
SMILESCCCCC(NCC(=O)NC)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-3-4-5-13(17-10-14(18)16-2)11-6-8-12(15)9-7-11/h6-9,13,17H,3-5,10H2,1-2H3,(H,16,18)
InChIKeyNLNFRWBMDFJGBW-UHFFFAOYSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-fluorophenyl)pentylamino]-N-(2-methylpropyl)acetamide
CID 115920167
3-[1-(4-fluorophenyl)pentylamino]-2,2-dimethylpropanamide
CID 103917130
N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-1-amine
CID 103780964
2-[1-(4-fluorophenyl)propylamino]-N-propan-2-ylacetamide
CID 43567792
1-(4-fluorophenyl)pentylhydrazine
CID 53402329
3-[1-(4-fluorophenyl)pentylamino]-2-methylpropanenitrile
CID 62647610
1,1,1-trifluoro-3-[1-(4-fluorophenyl)pentylamino]propan-2-ol
CID 103778683
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)-N-methoxypentan-1-amine
CID 82706495

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)pentylamino]-N-methylacetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)pentylamino]-N-methylacetamide (CID 43310401) is 2-[1-(4-fluorophenyl)pentylamino]-N-methylacetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)pentylamino]-N-methylacetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)pentylamino]-N-methylacetamide is CCCCC(NCC(=O)NC)c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)pentylamino]-N-methylacetamide?
The InChIKey is NLNFRWBMDFJGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-3-4-5-13(17-10-14(18)16-2)11-6-8-12(15)9-7-11/h6-9,13,17H,3-5,10H2,1-2H3,(H,16,18).
What are the key properties of 2-[1-(4-fluorophenyl)pentylamino]-N-methylacetamide?
2-[1-(4-fluorophenyl)pentylamino]-N-methylacetamide has a molecular weight of 252.33 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)pentylamino]-N-methylacetamide is sourced from PubChem (CID 43310401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).