[(2R)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate

C21H22FNO4 — CID 9270232

IUPAC[(2R)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESCc1cc(C)c(C(=O)[C@@H](C)OC(=O)CNC(=O)c2ccccc2F)cc1C
InChIInChI=1S/C21H22FNO4/c1-12-9-14(3)17(10-13(12)2)20(25)15(4)27-19(24)11-23-21(26)16-7-5-6-8-18(16)22/h5-10,15H,11H2,1-4H3,(H,23,26)/t15-/m1/s1
InChIKeyCBZVLAPKGGVPSJ-OAHLLOKOSA-N
MW371.41 g/mol
LogP3.30
Rot. Bonds6

About [(2R)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate

[(2R)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate (PubChem CID 9270232) has the molecular formula C21H22FNO4 and a molecular weight of 371.41 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
PubChem CID9270232
Molecular FormulaC21H22FNO4
Molecular Weight371.41 g/mol
Exact Mass371.15
IUPAC Name[(2R)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESCc1cc(C)c(C(=O)[C@@H](C)OC(=O)CNC(=O)c2ccccc2F)cc1C
InChIInChI=1S/C21H22FNO4/c1-12-9-14(3)17(10-13(12)2)20(25)15(4)27-19(24)11-23-21(26)16-7-5-6-8-18(16)22/h5-10,15H,11H2,1-4H3,(H,23,26)/t15-/m1/s1
InChIKeyCBZVLAPKGGVPSJ-OAHLLOKOSA-N
XLogP3.30
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate with MolForge

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Related Compounds

[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
CID 8521447
[1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 42969066
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270269
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9269969
[1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
CID 46794783
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9269844
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9269841
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
CID 2602068
[(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-[(3-nitrobenzoyl)amino]acetate
CID 9269567
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
CID 2602043
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270254
[(2S)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8736003

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate?
The IUPAC name of [(2R)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate (CID 9270232) is [(2R)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [(2R)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate?
The canonical SMILES for [(2R)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate is Cc1cc(C)c(C(=O)[C@@H](C)OC(=O)CNC(=O)c2ccccc2F)cc1C.
What is the InChIKey of [(2R)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate?
The InChIKey is CBZVLAPKGGVPSJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22FNO4/c1-12-9-14(3)17(10-13(12)2)20(25)15(4)27-19(24)11-23-21(26)16-7-5-6-8-18(16)22/h5-10,15H,11H2,1-4H3,(H,23,26)/t15-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate?
[(2R)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate has a molecular weight of 371.41 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 9270232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).