[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (3R)-3-phenylbutanoate

C20H21FN2O4 — CID 7266159

IUPAC[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (3R)-3-phenylbutanoate
SMILESC[C@H](CC(=O)OCC(=O)NCC(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H21FN2O4/c1-14(15-5-3-2-4-6-15)11-20(26)27-13-19(25)22-12-18(24)23-17-9-7-16(21)8-10-17/h2-10,14H,11-13H2,1H3,(H,22,25)(H,23,24)/t14-/m1/s1
InChIKeyOVPDFZCLQXGTPL-CQSZACIVSA-N
MW372.40 g/mol
LogP2.62
Rot. Bonds8

About [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (3R)-3-phenylbutanoate

[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (3R)-3-phenylbutanoate (PubChem CID 7266159) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (3R)-3-phenylbutanoate.

Molecular Properties

Compound Name[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (3R)-3-phenylbutanoate
PubChem CID7266159
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (3R)-3-phenylbutanoate
SMILESC[C@H](CC(=O)OCC(=O)NCC(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H21FN2O4/c1-14(15-5-3-2-4-6-15)11-20(26)27-13-19(25)22-12-18(24)23-17-9-7-16(21)8-10-17/h2-10,14H,11-13H2,1H3,(H,22,25)(H,23,24)/t14-/m1/s1
InChIKeyOVPDFZCLQXGTPL-CQSZACIVSA-N
XLogP2.62
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (3R)-3-phenylbutanoate with MolForge

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Related Compounds

[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132999
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2,2-diphenylacetate
CID 8578945
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7227476
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7773154
[2-(4-acetamidoanilino)-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7228166
(3S)-N-(4-fluorophenyl)-3-phenylbutanamide
CID 1122411
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-methylbutanamide
CID 5205104
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (3S)-3-phenylbutanoate
CID 7265956
[2-(3-methoxyanilino)-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227947
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 8911027
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3,3-diphenylpropanoate
CID 9289846
[2-(4-methylanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 4847422

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (3R)-3-phenylbutanoate?
The IUPAC name of [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (3R)-3-phenylbutanoate (CID 7266159) is [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (3R)-3-phenylbutanoate.
What is the SMILES notation for [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (3R)-3-phenylbutanoate?
The canonical SMILES for [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (3R)-3-phenylbutanoate is C[C@H](CC(=O)OCC(=O)NCC(=O)Nc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (3R)-3-phenylbutanoate?
The InChIKey is OVPDFZCLQXGTPL-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-14(15-5-3-2-4-6-15)11-20(26)27-13-19(25)22-12-18(24)23-17-9-7-16(21)8-10-17/h2-10,14H,11-13H2,1H3,(H,22,25)(H,23,24)/t14-/m1/s1.
What are the key properties of [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (3R)-3-phenylbutanoate?
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (3R)-3-phenylbutanoate has a molecular weight of 372.40 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (3R)-3-phenylbutanoate is sourced from PubChem (CID 7266159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).