[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate

C24H20FNO4 — CID 8921301

IUPAC[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
SMILESC[C@@H](OC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C24H20FNO4/c1-16(23(28)19-11-13-21(25)14-12-19)30-22(27)15-26-24(29)20-9-7-18(8-10-20)17-5-3-2-4-6-17/h2-14,16H,15H2,1H3,(H,26,29)/t16-/m1/s1
InChIKeyBVCIFIYLGVMHDV-MRXNPFEDSA-N
MW405.43 g/mol
LogP4.04
Rot. Bonds7

About [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate

[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate (PubChem CID 8921301) has the molecular formula C24H20FNO4 and a molecular weight of 405.43 g/mol. Its IUPAC name is [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
PubChem CID8921301
Molecular FormulaC24H20FNO4
Molecular Weight405.43 g/mol
Exact Mass405.14
IUPAC Name[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
SMILESC[C@@H](OC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C24H20FNO4/c1-16(23(28)19-11-13-21(25)14-12-19)30-22(27)15-26-24(29)20-9-7-18(8-10-20)17-5-3-2-4-6-17/h2-14,16H,15H2,1H3,(H,26,29)/t16-/m1/s1
InChIKeyBVCIFIYLGVMHDV-MRXNPFEDSA-N
XLogP4.04
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921292
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920750
[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7783210
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884811
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7889617
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7783196
[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877831
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884403
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate
CID 8662361
[1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
CID 46629792
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7878798
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877594

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate?
The IUPAC name of [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate (CID 8921301) is [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate.
What is the SMILES notation for [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate?
The canonical SMILES for [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate is C[C@@H](OC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)C(=O)c1ccc(F)cc1.
What is the InChIKey of [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate?
The InChIKey is BVCIFIYLGVMHDV-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H20FNO4/c1-16(23(28)19-11-13-21(25)14-12-19)30-22(27)15-26-24(29)20-9-7-18(8-10-20)17-5-3-2-4-6-17/h2-14,16H,15H2,1H3,(H,26,29)/t16-/m1/s1.
What are the key properties of [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate?
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate has a molecular weight of 405.43 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate is sourced from PubChem (CID 8921301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).