[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate

C27H21FN2O4 — CID 41071746

IUPAC[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate
SMILESO=C(CNC(=O)c1ccc2ccccc2c1)O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C27H21FN2O4/c28-22-12-14-23(15-13-22)30-27(33)25(19-7-2-1-3-8-19)34-24(31)17-29-26(32)21-11-10-18-6-4-5-9-20(18)16-21/h1-16,25H,17H2,(H,29,32)(H,30,33)/t25-/m1/s1
InChIKeyVCOXISKGQFTHRM-RUZDIDTESA-N
MW456.47 g/mol
LogP4.63
Rot. Bonds7

About [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate

[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate (PubChem CID 41071746) has the molecular formula C27H21FN2O4 and a molecular weight of 456.47 g/mol. Its IUPAC name is [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate.

Molecular Properties

Compound Name[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate
PubChem CID41071746
Molecular FormulaC27H21FN2O4
Molecular Weight456.47 g/mol
Exact Mass456.15
IUPAC Name[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate
SMILESO=C(CNC(=O)c1ccc2ccccc2c1)O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C27H21FN2O4/c28-22-12-14-23(15-13-22)30-27(33)25(19-7-2-1-3-8-19)34-24(31)17-29-26(32)21-11-10-18-6-4-5-9-20(18)16-21/h1-16,25H,17H2,(H,29,32)(H,30,33)/t25-/m1/s1
InChIKeyVCOXISKGQFTHRM-RUZDIDTESA-N
XLogP4.63
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881443
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-[(2,4-difluorobenzoyl)amino]acetate
CID 55376021
[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662521
[(1S)-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881119
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] propanoate
CID 42902056
[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
CID 2340275
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 16536891
[2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
CID 4104729
[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9269936
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate
CID 78536179
[(1S)-2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 2479919
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885202

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate?
The IUPAC name of [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate (CID 41071746) is [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate.
What is the SMILES notation for [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate?
The canonical SMILES for [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate is O=C(CNC(=O)c1ccc2ccccc2c1)O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate?
The InChIKey is VCOXISKGQFTHRM-RUZDIDTESA-N. The full InChI is InChI=1S/C27H21FN2O4/c28-22-12-14-23(15-13-22)30-27(33)25(19-7-2-1-3-8-19)34-24(31)17-29-26(32)21-11-10-18-6-4-5-9-20(18)16-21/h1-16,25H,17H2,(H,29,32)(H,30,33)/t25-/m1/s1.
What are the key properties of [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate?
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate has a molecular weight of 456.47 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(naphthalene-2-carbonylamino)acetate is sourced from PubChem (CID 41071746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).