(2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide

C19H23FN2O — CID 119330600

IUPAC(2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide
SMILESCC(C)(CNC(=O)[C@@H](N)Cc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C19H23FN2O/c1-19(2,15-9-6-10-16(20)12-15)13-22-18(23)17(21)11-14-7-4-3-5-8-14/h3-10,12,17H,11,13,21H2,1-2H3,(H,22,23)/t17-/m0/s1
InChIKeyOZCIVEJICGLJCH-KRWDZBQOSA-N
MW314.40 g/mol
LogP2.79
Rot. Bonds6

About (2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide

(2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide (PubChem CID 119330600) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide
PubChem CID119330600
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name(2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide
SMILESCC(C)(CNC(=O)[C@@H](N)Cc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C19H23FN2O/c1-19(2,15-9-6-10-16(20)12-15)13-22-18(23)17(21)11-14-7-4-3-5-8-14/h3-10,12,17H,11,13,21H2,1-2H3,(H,22,23)/t17-/m0/s1
InChIKeyOZCIVEJICGLJCH-KRWDZBQOSA-N
XLogP2.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[2-methyl-2-(3-methylphenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119308133
(2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylpentanamide;hydrochloride
CID 119796151
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
2-amino-2-(2-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide
CID 166261259
3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]butanamide
CID 115154464
[2-(3-fluorophenyl)-2-methylpropyl]urea
CID 115168840
3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride
CID 119951826
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide
CID 115186794
N-[2-(3-fluorophenyl)-2-methylpropyl]carbamoyl bromide
CID 115194299
3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2,2-dimethylpropanamide;hydrochloride
CID 119296279
(2R)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-phenylpropanamide
CID 78985535

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide (CID 119330600) is (2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide is CC(C)(CNC(=O)[C@@H](N)Cc1ccccc1)c1cccc(F)c1.
What is the InChIKey of (2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide?
The InChIKey is OZCIVEJICGLJCH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-19(2,15-9-6-10-16(20)12-15)13-22-18(23)17(21)11-14-7-4-3-5-8-14/h3-10,12,17H,11,13,21H2,1-2H3,(H,22,23)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide?
(2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide has a molecular weight of 314.40 g/mol, XLogP of 2.79, 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]-3-phenylpropanamide is sourced from PubChem (CID 119330600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).