(2S)-2-amino-N-[2-(3-fluorophenyl)propan-2-yl]propanamide

C12H17FN2O — CID 119330298

IUPAC(2S)-2-amino-N-[2-(3-fluorophenyl)propan-2-yl]propanamide
SMILESC[C@H](N)C(=O)NC(C)(C)c1cccc(F)c1
InChIInChI=1S/C12H17FN2O/c1-8(14)11(16)15-12(2,3)9-5-4-6-10(13)7-9/h4-8H,14H2,1-3H3,(H,15,16)/t8-/m0/s1
InChIKeyMNBHJIOPWOBFOA-QMMMGPOBSA-N
MW224.28 g/mol
LogP1.52
Rot. Bonds3

About (2S)-2-amino-N-[2-(3-fluorophenyl)propan-2-yl]propanamide

(2S)-2-amino-N-[2-(3-fluorophenyl)propan-2-yl]propanamide (PubChem CID 119330298) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(3-fluorophenyl)propan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(3-fluorophenyl)propan-2-yl]propanamide
PubChem CID119330298
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name(2S)-2-amino-N-[2-(3-fluorophenyl)propan-2-yl]propanamide
SMILESC[C@H](N)C(=O)NC(C)(C)c1cccc(F)c1
InChIInChI=1S/C12H17FN2O/c1-8(14)11(16)15-12(2,3)9-5-4-6-10(13)7-9/h4-8H,14H2,1-3H3,(H,15,16)/t8-/m0/s1
InChIKeyMNBHJIOPWOBFOA-QMMMGPOBSA-N
XLogP1.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpropanamide
CID 110470332
3-amino-N-[2-(3-fluorophenyl)propan-2-yl]-3-phenylpropanamide
CID 119951809
(2S)-2-amino-N-[2-(4-ethylphenyl)propan-2-yl]propanamide
CID 119337733
N-[2-(3-fluorophenyl)propan-2-yl]-2-phenylacetamide
CID 12790289
1-[2-(3-fluorophenyl)propan-2-yl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111507570
methyl 2-amino-3-fluoro-2-(3-fluorophenyl)butanoate
CID 105486320
(2R)-2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81364932
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365596
2-[2-(3-fluorophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976301
N-[2-(3-fluorophenyl)propan-2-yl]-6-methylpyridine-2-carboxamide
CID 110472200
(2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylpentanamide;hydrochloride
CID 119796151
methyl (2S)-3-[2-(3-fluorophenyl)propan-2-ylsulfamoyl]-2-methylpropanoate
CID 129392760

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(3-fluorophenyl)propan-2-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[2-(3-fluorophenyl)propan-2-yl]propanamide (CID 119330298) is (2S)-2-amino-N-[2-(3-fluorophenyl)propan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(3-fluorophenyl)propan-2-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(3-fluorophenyl)propan-2-yl]propanamide is C[C@H](N)C(=O)NC(C)(C)c1cccc(F)c1.
What is the InChIKey of (2S)-2-amino-N-[2-(3-fluorophenyl)propan-2-yl]propanamide?
The InChIKey is MNBHJIOPWOBFOA-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-8(14)11(16)15-12(2,3)9-5-4-6-10(13)7-9/h4-8H,14H2,1-3H3,(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(3-fluorophenyl)propan-2-yl]propanamide?
(2S)-2-amino-N-[2-(3-fluorophenyl)propan-2-yl]propanamide has a molecular weight of 224.28 g/mol, XLogP of 1.52, 3 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)propan-2-yl]propanamide is sourced from PubChem (CID 119330298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).