2-[1-(4-fluorophenyl)pentylamino]-N-(2-methylpropyl)acetamide

C17H27FN2O — CID 115920167

IUPAC2-[1-(4-fluorophenyl)pentylamino]-N-(2-methylpropyl)acetamide
SMILESCCCCC(NCC(=O)NCC(C)C)c1ccc(F)cc1
InChIInChI=1S/C17H27FN2O/c1-4-5-6-16(14-7-9-15(18)10-8-14)19-12-17(21)20-11-13(2)3/h7-10,13,16,19H,4-6,11-12H2,1-3H3,(H,20,21)
InChIKeyXDPFXFOMALDYDE-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.42
Rot. Bonds9

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

2-[1-(4-fluorophenyl)pentylamino]-N-(2-methylpropyl)acetamide (PubChem CID 115920167) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)pentylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)pentylamino]-N-(2-methylpropyl)acetamide
PubChem CID115920167
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name2-[1-(4-fluorophenyl)pentylamino]-N-(2-methylpropyl)acetamide
SMILESCCCCC(NCC(=O)NCC(C)C)c1ccc(F)cc1
InChIInChI=1S/C17H27FN2O/c1-4-5-6-16(14-7-9-15(18)10-8-14)19-12-17(21)20-11-13(2)3/h7-10,13,16,19H,4-6,11-12H2,1-3H3,(H,20,21)
InChIKeyXDPFXFOMALDYDE-UHFFFAOYSA-N
XLogP3.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-fluorophenyl)pentylamino]-N-methylacetamide
CID 43310401
N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-1-amine
CID 103780964
3-[1-(4-fluorophenyl)pentylamino]-2,2-dimethylpropanamide
CID 103917130
2-[1-(4-fluorophenyl)propylamino]-N-propan-2-ylacetamide
CID 43567792
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-propan-2-ylpentan-1-amine
CID 43111233
1-N-[1-(4-fluorophenyl)pentyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43111700
1-(4-fluorophenyl)pentylhydrazine
CID 53402329
2-[1-(4-fluorophenyl)pentylamino]-N,N-dimethylethanesulfonamide
CID 106335021
N-[1-(4-fluorophenyl)pentyl]-6-methylheptan-2-amine
CID 43100534
N-[2-(4-fluorophenyl)-2-hydroxyethyl]pentanamide
CID 110888909

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)pentylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)pentylamino]-N-(2-methylpropyl)acetamide (CID 115920167) is 2-[1-(4-fluorophenyl)pentylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)pentylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)pentylamino]-N-(2-methylpropyl)acetamide is CCCCC(NCC(=O)NCC(C)C)c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)pentylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is XDPFXFOMALDYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-4-5-6-16(14-7-9-15(18)10-8-14)19-12-17(21)20-11-13(2)3/h7-10,13,16,19H,4-6,11-12H2,1-3H3,(H,20,21).
What are the key properties of 2-[1-(4-fluorophenyl)pentylamino]-N-(2-methylpropyl)acetamide?
2-[1-(4-fluorophenyl)pentylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 294.41 g/mol, XLogP of 3.42, 9 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-(2-methylpropyl)acetamide is sourced from PubChem (CID 115920167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).