(2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylpentanamide;hydrochloride

C16H26ClFN2O — CID 119796151

IUPAC(2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCC(C)(C)c1cccc(F)c1.Cl
InChIInChI=1S/C16H25FN2O.ClH/c1-11(2)8-14(18)15(20)19-10-16(3,4)12-6-5-7-13(17)9-12;/h5-7,9,11,14H,8,10,18H2,1-4H3,(H,19,20);1H/t14-;/m0./s1
InChIKeyPEBFAZHWRZJYKC-UQKRIMTDSA-N
MW316.85 g/mol
LogP3.01
Rot. Bonds6

About (2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylpentanamide;hydrochloride

(2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylpentanamide;hydrochloride (PubChem CID 119796151) has the molecular formula C16H26ClFN2O and a molecular weight of 316.85 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylpentanamide;hydrochloride
PubChem CID119796151
Molecular FormulaC16H26ClFN2O
Molecular Weight316.85 g/mol
Exact Mass316.17
IUPAC Name(2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCC(C)(C)c1cccc(F)c1.Cl
InChIInChI=1S/C16H25FN2O.ClH/c1-11(2)8-14(18)15(20)19-10-16(3,4)12-6-5-7-13(17)9-12;/h5-7,9,11,14H,8,10,18H2,1-4H3,(H,19,20);1H/t14-;/m0./s1
InChIKeyPEBFAZHWRZJYKC-UQKRIMTDSA-N
XLogP3.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-methoxypropanamide
CID 120990280
2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119957543
(2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide
CID 119330600
3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]butanamide
CID 115154464
[2-(3-fluorophenyl)-2-methylpropyl]urea
CID 115168840
2-amino-2-(2-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide
CID 166261259
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide
CID 115186794
N-[2-(3-fluorophenyl)-2-methylpropyl]carbamoyl bromide
CID 115194299
2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methylpentanamide
CID 43566283
3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride
CID 119951826
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-hydroxy-2-methylpropanamide
CID 115179051
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-(methylamino)acetamide
CID 115152192

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylpentanamide;hydrochloride (CID 119796151) is (2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylpentanamide;hydrochloride is CC(C)C[C@H](N)C(=O)NCC(C)(C)c1cccc(F)c1.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylpentanamide;hydrochloride?
The InChIKey is PEBFAZHWRZJYKC-UQKRIMTDSA-N. The full InChI is InChI=1S/C16H25FN2O.ClH/c1-11(2)8-14(18)15(20)19-10-16(3,4)12-6-5-7-13(17)9-12;/h5-7,9,11,14H,8,10,18H2,1-4H3,(H,19,20);1H/t14-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylpentanamide;hydrochloride?
(2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylpentanamide;hydrochloride has a molecular weight of 316.85 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 119796151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).