(2S)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanamide

C12H15FN2O2 — CID 10799935

IUPAC(2S)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanamide
SMILESCC(=O)N[C@@](C)(Cc1cccc(F)c1)C(N)=O
InChIInChI=1S/C12H15FN2O2/c1-8(16)15-12(2,11(14)17)7-9-4-3-5-10(13)6-9/h3-6H,7H2,1-2H3,(H2,14,17)(H,15,16)/t12-/m0/s1
InChIKeyVTNMMLYLLDGZIN-LBPRGKRZSA-N
MW238.26 g/mol
LogP0.75
Rot. Bonds4

About (2S)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanamide

(2S)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanamide (PubChem CID 10799935) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is (2S)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanamide
PubChem CID10799935
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name(2S)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanamide
SMILESCC(=O)N[C@@](C)(Cc1cccc(F)c1)C(N)=O
InChIInChI=1S/C12H15FN2O2/c1-8(16)15-12(2,11(14)17)7-9-4-3-5-10(13)6-9/h3-6H,7H2,1-2H3,(H2,14,17)(H,15,16)/t12-/m0/s1
InChIKeyVTNMMLYLLDGZIN-LBPRGKRZSA-N
XLogP0.75
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (2R)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanoate
CID 10587890
2-(cyclopropylmethylamino)-3-(3-fluorophenyl)-2-methylpropanamide
CID 114831942
2-acetamido-2-cyano-3-[4-[(3-fluorophenyl)methoxy]phenyl]propanamide
CID 67067988
3-[(3-fluorophenyl)methylamino]-2,2-dimethylpropanamide
CID 115582738
3-(3-fluorophenyl)-2-methyl-2-(prop-2-ynylamino)propanoic acid
CID 114832162
methyl 2-(cyclopropylamino)-3-(3-fluorophenyl)-2-methylpropanoate
CID 114832026
[(2S)-1-(3-fluorophenyl)-2-(hydroxymethyl)-3,3-dimethylbutan-2-yl]carbamic acid
CID 67069204
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
2-(cyclohexylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid
CID 114832131
1-(3-fluorophenyl)-2,3-dimethylbut-3-en-2-ol
CID 114833422
1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 60798491
1-(3-fluorophenyl)-2-methyl-3-phenylpropan-2-amine
CID 115608470

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanamide?
The IUPAC name of (2S)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanamide (CID 10799935) is (2S)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for (2S)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for (2S)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanamide is CC(=O)N[C@@](C)(Cc1cccc(F)c1)C(N)=O.
What is the InChIKey of (2S)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanamide?
The InChIKey is VTNMMLYLLDGZIN-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-8(16)15-12(2,11(14)17)7-9-4-3-5-10(13)6-9/h3-6H,7H2,1-2H3,(H2,14,17)(H,15,16)/t12-/m0/s1.
What are the key properties of (2S)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanamide?
(2S)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanamide has a molecular weight of 238.26 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 10799935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).