[4-(2-oxopyrrolidin-1-yl)phenyl] 3-[(2,4-difluorobenzoyl)amino]propanoate

C20H18F2N2O4 — CID 51256909

IUPAC[4-(2-oxopyrrolidin-1-yl)phenyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)Oc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H18F2N2O4/c21-13-3-8-16(17(22)12-13)20(27)23-10-9-19(26)28-15-6-4-14(5-7-15)24-11-1-2-18(24)25/h3-8,12H,1-2,9-11H2,(H,23,27)
InChIKeyPTQVFJAVGMJGHH-UHFFFAOYSA-N
MW388.37 g/mol
LogP2.82
Rot. Bonds6

About [4-(2-oxopyrrolidin-1-yl)phenyl] 3-[(2,4-difluorobenzoyl)amino]propanoate

[4-(2-oxopyrrolidin-1-yl)phenyl] 3-[(2,4-difluorobenzoyl)amino]propanoate (PubChem CID 51256909) has the molecular formula C20H18F2N2O4 and a molecular weight of 388.37 g/mol. Its IUPAC name is [4-(2-oxopyrrolidin-1-yl)phenyl] 3-[(2,4-difluorobenzoyl)amino]propanoate.

Molecular Properties

Compound Name[4-(2-oxopyrrolidin-1-yl)phenyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
PubChem CID51256909
Molecular FormulaC20H18F2N2O4
Molecular Weight388.37 g/mol
Exact Mass388.12
IUPAC Name[4-(2-oxopyrrolidin-1-yl)phenyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)Oc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H18F2N2O4/c21-13-3-8-16(17(22)12-13)20(27)23-10-9-19(26)28-15-6-4-14(5-7-15)24-11-1-2-18(24)25/h3-8,12H,1-2,9-11H2,(H,23,27)
InChIKeyPTQVFJAVGMJGHH-UHFFFAOYSA-N
XLogP2.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 1259715
(4-bromophenyl) 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 24656466
[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(thiophene-2-carbonylamino)propanoate
CID 35545606
[4-(2-oxopyrrolidin-1-yl)phenyl] 5-fluoro-2-methylbenzoate
CID 33089114
4-chloro-2-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589680
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(3,4-difluorophenyl)sulfanylacetate
CID 35545428
2,4-difluoro-N-[3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzamide
CID 55732235
(4-tert-butyl-2-methylphenyl) 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 24657081
N-[4-(4-fluorophenoxy)butyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 32644603
2-fluoro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8746567
N-[2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl]-2,4-difluorobenzamide
CID 46540627
phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 27444483

Frequently Asked Questions

What is the IUPAC name of [4-(2-oxopyrrolidin-1-yl)phenyl] 3-[(2,4-difluorobenzoyl)amino]propanoate?
The IUPAC name of [4-(2-oxopyrrolidin-1-yl)phenyl] 3-[(2,4-difluorobenzoyl)amino]propanoate (CID 51256909) is [4-(2-oxopyrrolidin-1-yl)phenyl] 3-[(2,4-difluorobenzoyl)amino]propanoate.
What is the SMILES notation for [4-(2-oxopyrrolidin-1-yl)phenyl] 3-[(2,4-difluorobenzoyl)amino]propanoate?
The canonical SMILES for [4-(2-oxopyrrolidin-1-yl)phenyl] 3-[(2,4-difluorobenzoyl)amino]propanoate is O=C(CCNC(=O)c1ccc(F)cc1F)Oc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of [4-(2-oxopyrrolidin-1-yl)phenyl] 3-[(2,4-difluorobenzoyl)amino]propanoate?
The InChIKey is PTQVFJAVGMJGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O4/c21-13-3-8-16(17(22)12-13)20(27)23-10-9-19(26)28-15-6-4-14(5-7-15)24-11-1-2-18(24)25/h3-8,12H,1-2,9-11H2,(H,23,27).
What are the key properties of [4-(2-oxopyrrolidin-1-yl)phenyl] 3-[(2,4-difluorobenzoyl)amino]propanoate?
[4-(2-oxopyrrolidin-1-yl)phenyl] 3-[(2,4-difluorobenzoyl)amino]propanoate has a molecular weight of 388.37 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-oxopyrrolidin-1-yl)phenyl] 3-[(2,4-difluorobenzoyl)amino]propanoate is sourced from PubChem (CID 51256909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).