N-(2-amino-2-ethylbutyl)-3-(3-fluorophenyl)butanamide;hydrochloride

C16H26ClFN2O — CID 119641244

IUPACN-(2-amino-2-ethylbutyl)-3-(3-fluorophenyl)butanamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)CC(C)c1cccc(F)c1.Cl
InChIInChI=1S/C16H25FN2O.ClH/c1-4-16(18,5-2)11-19-15(20)9-12(3)13-7-6-8-14(17)10-13;/h6-8,10,12H,4-5,9,11,18H2,1-3H3,(H,19,20);1H
InChIKeyBBBZGUGQHPIISU-UHFFFAOYSA-N
MW316.85 g/mol
LogP3.37
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-3-(3-fluorophenyl)butanamide;hydrochloride

N-(2-amino-2-ethylbutyl)-3-(3-fluorophenyl)butanamide;hydrochloride (PubChem CID 119641244) has the molecular formula C16H26ClFN2O and a molecular weight of 316.85 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-(3-fluorophenyl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-(3-fluorophenyl)butanamide;hydrochloride
PubChem CID119641244
Molecular FormulaC16H26ClFN2O
Molecular Weight316.85 g/mol
Exact Mass316.17
IUPAC NameN-(2-amino-2-ethylbutyl)-3-(3-fluorophenyl)butanamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)CC(C)c1cccc(F)c1.Cl
InChIInChI=1S/C16H25FN2O.ClH/c1-4-16(18,5-2)11-19-15(20)9-12(3)13-7-6-8-14(17)10-13;/h6-8,10,12H,4-5,9,11,18H2,1-3H3,(H,19,20);1H
InChIKeyBBBZGUGQHPIISU-UHFFFAOYSA-N
XLogP3.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(ethylamino)ethyl]-3-(3-fluorophenyl)butanamide;hydrochloride
CID 119506390
N-[3-(aminomethyl)pentan-3-yl]-3-(3-fluorophenyl)butanamide
CID 119569913
3-(3-fluorophenyl)-N-[2-(methylamino)ethyl]butanamide
CID 119501543
2-[3-(3-fluorophenyl)butanoylamino]butanoic acid
CID 119223317
N-(2-amino-2-ethylbutyl)-3-phenylpentanamide;hydrochloride
CID 119643360
3-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
CID 111481480
N-[2-(4-aminophenyl)ethyl]-3-(3-fluorophenyl)butanamide
CID 119548314
(3R)-3-(3-fluorophenyl)butanoic acid
CID 28791547
3-(3-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]butanamide
CID 111485734
2-amino-2-ethyl-N-[1-(3-fluorophenyl)ethyl]butanamide
CID 79814759
N-(2-amino-2-ethylbutyl)-4-(3-fluorophenoxy)butanamide
CID 119642968
(2S)-2-[[2-[3-(3-fluorophenyl)butanoylamino]acetyl]amino]-4-methylpentanoic acid
CID 120695191

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-(3-fluorophenyl)butanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-(3-fluorophenyl)butanamide;hydrochloride (CID 119641244) is N-(2-amino-2-ethylbutyl)-3-(3-fluorophenyl)butanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-(3-fluorophenyl)butanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-(3-fluorophenyl)butanamide;hydrochloride is CCC(N)(CC)CNC(=O)CC(C)c1cccc(F)c1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-(3-fluorophenyl)butanamide;hydrochloride?
The InChIKey is BBBZGUGQHPIISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O.ClH/c1-4-16(18,5-2)11-19-15(20)9-12(3)13-7-6-8-14(17)10-13;/h6-8,10,12H,4-5,9,11,18H2,1-3H3,(H,19,20);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-3-(3-fluorophenyl)butanamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-3-(3-fluorophenyl)butanamide;hydrochloride has a molecular weight of 316.85 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-(3-fluorophenyl)butanamide;hydrochloride is sourced from PubChem (CID 119641244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).