1-(2-fluorophenyl)-2-methyl-3-[pentyl(propan-2-yl)amino]propan-1-one

C18H28FNO — CID 115996564

IUPAC1-(2-fluorophenyl)-2-methyl-3-[pentyl(propan-2-yl)amino]propan-1-one
SMILESCCCCCN(CC(C)C(=O)c1ccccc1F)C(C)C
InChIInChI=1S/C18H28FNO/c1-5-6-9-12-20(14(2)3)13-15(4)18(21)16-10-7-8-11-17(16)19/h7-8,10-11,14-15H,5-6,9,12-13H2,1-4H3
InChIKeyNJHMABNXIABVME-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.55
Rot. Bonds9

About 1-(2-fluorophenyl)-2-methyl-3-[pentyl(propan-2-yl)amino]propan-1-one

1-(2-fluorophenyl)-2-methyl-3-[pentyl(propan-2-yl)amino]propan-1-one (PubChem CID 115996564) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-methyl-3-[pentyl(propan-2-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-methyl-3-[pentyl(propan-2-yl)amino]propan-1-one
PubChem CID115996564
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name1-(2-fluorophenyl)-2-methyl-3-[pentyl(propan-2-yl)amino]propan-1-one
SMILESCCCCCN(CC(C)C(=O)c1ccccc1F)C(C)C
InChIInChI=1S/C18H28FNO/c1-5-6-9-12-20(14(2)3)13-15(4)18(21)16-10-7-8-11-17(16)19/h7-8,10-11,14-15H,5-6,9,12-13H2,1-4H3
InChIKeyNJHMABNXIABVME-UHFFFAOYSA-N
XLogP4.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(dibutylamino)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996505
3-(diethylamino)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 112679711
3-[(2-fluorobenzoyl)-propylamino]-2-methylpropanoic acid
CID 82324785
1-(2-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one
CID 62645290
2-methyl-3-[pentyl(propan-2-yl)amino]propanehydrazide
CID 63583676
4-(2-fluorophenyl)-3-methyl-4-oxobutanenitrile
CID 60914023
5-fluoro-2-[[pentyl(propan-2-yl)amino]methyl]benzoic acid
CID 63293041
3-(N,3-dimethylanilino)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996551
2-fluoro-N-pentyl-N-propan-2-yl-5-sulfanylbenzamide
CID 107026404
1-(2-fluorophenyl)octane-1,3-dione
CID 43138821
N-(3-chloropropyl)-2-fluoro-N-propan-2-ylbenzamide
CID 63390556
1-(2-fluorophenyl)-2-hydroxybutan-1-one
CID 103453135

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-methyl-3-[pentyl(propan-2-yl)amino]propan-1-one?
The IUPAC name of 1-(2-fluorophenyl)-2-methyl-3-[pentyl(propan-2-yl)amino]propan-1-one (CID 115996564) is 1-(2-fluorophenyl)-2-methyl-3-[pentyl(propan-2-yl)amino]propan-1-one.
What is the SMILES notation for 1-(2-fluorophenyl)-2-methyl-3-[pentyl(propan-2-yl)amino]propan-1-one?
The canonical SMILES for 1-(2-fluorophenyl)-2-methyl-3-[pentyl(propan-2-yl)amino]propan-1-one is CCCCCN(CC(C)C(=O)c1ccccc1F)C(C)C.
What is the InChIKey of 1-(2-fluorophenyl)-2-methyl-3-[pentyl(propan-2-yl)amino]propan-1-one?
The InChIKey is NJHMABNXIABVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-5-6-9-12-20(14(2)3)13-15(4)18(21)16-10-7-8-11-17(16)19/h7-8,10-11,14-15H,5-6,9,12-13H2,1-4H3.
What are the key properties of 1-(2-fluorophenyl)-2-methyl-3-[pentyl(propan-2-yl)amino]propan-1-one?
1-(2-fluorophenyl)-2-methyl-3-[pentyl(propan-2-yl)amino]propan-1-one has a molecular weight of 293.43 g/mol, XLogP of 4.55, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-methyl-3-[pentyl(propan-2-yl)amino]propan-1-one is sourced from PubChem (CID 115996564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).