2-amino-N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide;hydrochloride

C16H24ClFN2O — CID 119329773

IUPAC2-amino-N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NC1c2cccc(F)c2CCC1C.Cl
InChIInChI=1S/C16H23FN2O.ClH/c1-3-5-14(18)16(20)19-15-10(2)8-9-11-12(15)6-4-7-13(11)17;/h4,6-7,10,14-15H,3,5,8-9,18H2,1-2H3,(H,19,20);1H
InChIKeyUUVTYYKYNXQOIO-UHFFFAOYSA-N
MW314.83 g/mol
LogP3.11
Rot. Bonds4

About 2-amino-N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide;hydrochloride

2-amino-N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide;hydrochloride (PubChem CID 119329773) has the molecular formula C16H24ClFN2O and a molecular weight of 314.83 g/mol. Its IUPAC name is 2-amino-N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide;hydrochloride
PubChem CID119329773
Molecular FormulaC16H24ClFN2O
Molecular Weight314.83 g/mol
Exact Mass314.16
IUPAC Name2-amino-N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NC1c2cccc(F)c2CCC1C.Cl
InChIInChI=1S/C16H23FN2O.ClH/c1-3-5-14(18)16(20)19-15-10(2)8-9-11-12(15)6-4-7-13(11)17;/h4,6-7,10,14-15H,3,5,8-9,18H2,1-2H3,(H,19,20);1H
InChIKeyUUVTYYKYNXQOIO-UHFFFAOYSA-N
XLogP3.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.83
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(1R,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methyl-3-methylsulfonylpropanamide
CID 129422325
1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxybutyl)urea
CID 111861118
N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(methylsulfamoyl)acetamide
CID 96967900
1-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(3S)-1-propanoylpyrrolidin-3-yl]urea
CID 97095078
1-[(1R,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(3S)-1-propanoylpyrrolidin-3-yl]urea
CID 124729881
1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-propanoylpyrrolidin-3-yl)urea
CID 71917527
N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111861112
1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(3-hydroxypropyl)urea
CID 111861119
2-(4-acetamidophenyl)-N-[(1S,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 95974141
4-[(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoylamino]butanoic acid
CID 122005494
1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-hydroxy-3-methoxypropyl)urea
CID 111861110
5-amino-N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylbenzamide
CID 120634471

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide;hydrochloride (CID 119329773) is 2-amino-N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide;hydrochloride is CCCC(N)C(=O)NC1c2cccc(F)c2CCC1C.Cl.
What is the InChIKey of 2-amino-N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide;hydrochloride?
The InChIKey is UUVTYYKYNXQOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O.ClH/c1-3-5-14(18)16(20)19-15-10(2)8-9-11-12(15)6-4-7-13(11)17;/h4,6-7,10,14-15H,3,5,8-9,18H2,1-2H3,(H,19,20);1H.
What are the key properties of 2-amino-N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide;hydrochloride?
2-amino-N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide;hydrochloride has a molecular weight of 314.83 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide;hydrochloride is sourced from PubChem (CID 119329773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).