[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate

C23H20FNO4 — CID 7967628

IUPAC[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate
SMILESC[C@@H](OC(=O)CCC(=O)c1ccc(F)cc1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C23H20FNO4/c1-15(23(28)25-20-11-8-16-4-2-3-5-18(16)14-20)29-22(27)13-12-21(26)17-6-9-19(24)10-7-17/h2-11,14-15H,12-13H2,1H3,(H,25,28)/t15-/m1/s1
InChIKeySLFNRKHBWBHHLR-OAHLLOKOSA-N
MW393.41 g/mol
LogP4.51
Rot. Bonds7

About [(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate

[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate (PubChem CID 7967628) has the molecular formula C23H20FNO4 and a molecular weight of 393.41 g/mol. Its IUPAC name is [(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate
PubChem CID7967628
Molecular FormulaC23H20FNO4
Molecular Weight393.41 g/mol
Exact Mass393.14
IUPAC Name[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate
SMILESC[C@@H](OC(=O)CCC(=O)c1ccc(F)cc1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C23H20FNO4/c1-15(23(28)25-20-11-8-16-4-2-3-5-18(16)14-20)29-22(27)13-12-21(26)17-6-9-19(24)10-7-17/h2-11,14-15H,12-13H2,1H3,(H,25,28)/t15-/m1/s1
InChIKeySLFNRKHBWBHHLR-OAHLLOKOSA-N
XLogP4.51
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate with MolForge

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Related Compounds

[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7764174
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7951655
[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate
CID 47012016
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881443
[1-(2-chloroanilino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 46618622
(2R)-2-(4-fluorophenoxy)-N-naphthalen-2-ylpropanamide
CID 887383
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7764297
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 7750903
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-(4-methylphenyl)-4-oxobutanoate
CID 55418156
[1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 4-(3,4-dimethylphenyl)-4-oxobutanoate
CID 46659098
[(2R)-1-anilino-1-oxopropan-2-yl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2521332
[(2S)-1-anilino-1-oxopropan-2-yl] 4-(4-bromophenyl)-4-oxobutanoate
CID 7132411

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate?
The IUPAC name of [(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate (CID 7967628) is [(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate.
What is the SMILES notation for [(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate?
The canonical SMILES for [(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate is C[C@@H](OC(=O)CCC(=O)c1ccc(F)cc1)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of [(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate?
The InChIKey is SLFNRKHBWBHHLR-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H20FNO4/c1-15(23(28)25-20-11-8-16-4-2-3-5-18(16)14-20)29-22(27)13-12-21(26)17-6-9-19(24)10-7-17/h2-11,14-15H,12-13H2,1H3,(H,25,28)/t15-/m1/s1.
What are the key properties of [(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate?
[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate has a molecular weight of 393.41 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate is sourced from PubChem (CID 7967628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).