N-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide;hydrochloride

C17H28ClFN2O — CID 119659700

IUPACN-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide;hydrochloride
SMILESCC(Cc1cccc(F)c1)C(=O)N(C)CCC(N)C(C)C.Cl
InChIInChI=1S/C17H27FN2O.ClH/c1-12(2)16(19)8-9-20(4)17(21)13(3)10-14-6-5-7-15(18)11-14;/h5-7,11-13,16H,8-10,19H2,1-4H3;1H
InChIKeyPGCREJYXQXITNH-UHFFFAOYSA-N
MW330.88 g/mol
LogP3.26
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide;hydrochloride

N-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide;hydrochloride (PubChem CID 119659700) has the molecular formula C17H28ClFN2O and a molecular weight of 330.88 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide;hydrochloride
PubChem CID119659700
Molecular FormulaC17H28ClFN2O
Molecular Weight330.88 g/mol
Exact Mass330.19
IUPAC NameN-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide;hydrochloride
SMILESCC(Cc1cccc(F)c1)C(=O)N(C)CCC(N)C(C)C.Cl
InChIInChI=1S/C17H27FN2O.ClH/c1-12(2)16(19)8-9-20(4)17(21)13(3)10-14-6-5-7-15(18)11-14;/h5-7,11-13,16H,8-10,19H2,1-4H3;1H
InChIKeyPGCREJYXQXITNH-UHFFFAOYSA-N
XLogP3.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide
CID 119659701
N-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride
CID 119658393
N-[(3S)-3-amino-4-methylpentyl]-6-fluoro-N-methylnaphthalene-1-carboxamide;hydrochloride
CID 170898691
N-(3-amino-4-methylpentyl)-2,6-difluoro-N-methylbenzamide
CID 81484058
N-(3-amino-4-methylpentyl)-2-(2-bromo-4-fluorophenoxy)-N-methylpropanamide
CID 119659098
2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 43211988
N-(3-amino-4-methylpentyl)-N,2-dimethylbutanamide;hydrochloride
CID 119657234
N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
CID 81484690
N-(3-amino-4-methylpentyl)-5-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride
CID 119658286
N-(3-amino-4-methylpentyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 119657415
(2S)-3-(3-fluorophenyl)-N,2-dimethyl-N-naphthalen-2-ylpropanamide
CID 97020341
3-(3-fluorophenyl)-N,2-dimethyl-N-piperidin-4-ylpropanamide
CID 119443185

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide;hydrochloride (CID 119659700) is N-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide;hydrochloride is CC(Cc1cccc(F)c1)C(=O)N(C)CCC(N)C(C)C.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide;hydrochloride?
The InChIKey is PGCREJYXQXITNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O.ClH/c1-12(2)16(19)8-9-20(4)17(21)13(3)10-14-6-5-7-15(18)11-14;/h5-7,11-13,16H,8-10,19H2,1-4H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide;hydrochloride?
N-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide;hydrochloride has a molecular weight of 330.88 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 119659700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).