[(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate

C22H24FNO5 — CID 9487294

IUPAC[(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate
SMILESCC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)[C@H](C)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C22H24FNO5/c1-13(2)21(26)24-18-9-5-16(6-10-18)20(25)14(3)29-22(27)15(4)28-19-11-7-17(23)8-12-19/h5-15H,1-4H3,(H,24,26)/t14-,15+/m1/s1
InChIKeyMEDAFBRSZCJFPP-CABCVRRESA-N
MW401.43 g/mol
LogP4.00
Rot. Bonds8

About [(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate

[(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate (PubChem CID 9487294) has the molecular formula C22H24FNO5 and a molecular weight of 401.43 g/mol. Its IUPAC name is [(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate.

Molecular Properties

Compound Name[(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate
PubChem CID9487294
Molecular FormulaC22H24FNO5
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name[(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate
SMILESCC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)[C@H](C)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C22H24FNO5/c1-13(2)21(26)24-18-9-5-16(6-10-18)20(25)14(3)29-22(27)15(4)28-19-11-7-17(23)8-12-19/h5-15H,1-4H3,(H,24,26)/t14-,15+/m1/s1
InChIKeyMEDAFBRSZCJFPP-CABCVRRESA-N
XLogP4.00
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate with MolForge

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Related Compounds

[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2R)-2-(4-fluorophenoxy)propanoate
CID 8935528
4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7931427
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-(4-fluorophenoxy)propanoate
CID 42902776
2-methyl-N-[4-[(2R)-2-(4-propanoylphenoxy)propanoyl]phenyl]propanamide
CID 39949041
4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid
CID 21367225
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983960
methyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate
CID 2934711
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 7782483
[(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate
CID 8935769
4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide
CID 7709738
4-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 8884358
N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
CID 3305617

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate?
The IUPAC name of [(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate (CID 9487294) is [(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate.
What is the SMILES notation for [(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate?
The canonical SMILES for [(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate is CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)[C@H](C)Oc2ccc(F)cc2)cc1.
What is the InChIKey of [(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate?
The InChIKey is MEDAFBRSZCJFPP-CABCVRRESA-N. The full InChI is InChI=1S/C22H24FNO5/c1-13(2)21(26)24-18-9-5-16(6-10-18)20(25)14(3)29-22(27)15(4)28-19-11-7-17(23)8-12-19/h5-15H,1-4H3,(H,24,26)/t14-,15+/m1/s1.
What are the key properties of [(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate?
[(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate has a molecular weight of 401.43 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate is sourced from PubChem (CID 9487294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).