[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate

C18H16F2N2O5 — CID 9007632

IUPAC[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
SMILESO=C(COC(=O)[C@H](O)c1ccccc1)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H16F2N2O5/c19-13-7-6-12(8-14(13)20)22-15(23)9-21-16(24)10-27-18(26)17(25)11-4-2-1-3-5-11/h1-8,17,25H,9-10H2,(H,21,24)(H,22,23)/t17-/m1/s1
InChIKeyAVBLVLQYGZZDPT-QGZVFWFLSA-N
MW378.33 g/mol
LogP1.30
Rot. Bonds7

About [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate

[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate (PubChem CID 9007632) has the molecular formula C18H16F2N2O5 and a molecular weight of 378.33 g/mol. Its IUPAC name is [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
PubChem CID9007632
Molecular FormulaC18H16F2N2O5
Molecular Weight378.33 g/mol
Exact Mass378.10
IUPAC Name[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
SMILESO=C(COC(=O)[C@H](O)c1ccccc1)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H16F2N2O5/c19-13-7-6-12(8-14(13)20)22-15(23)9-21-16(24)10-27-18(26)17(25)11-4-2-1-3-5-11/h1-8,17,25H,9-10H2,(H,21,24)(H,22,23)/t17-/m1/s1
InChIKeyAVBLVLQYGZZDPT-QGZVFWFLSA-N
XLogP1.30
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate with MolForge

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Related Compounds

[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2,2-diphenylacetate
CID 8578945
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-propan-2-ylbenzoate
CID 9019884
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 9290660
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-methylphenoxy)propanoate
CID 55401009
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxyacetate
CID 9289649
N-(3,4-difluorophenyl)-2-(phenylcarbamoylamino)acetamide
CID 17451179
N-(3,4-difluorophenyl)-2-(1-phenylethylamino)acetamide
CID 78289102
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 9007151
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate
CID 34301713
[2-(3,4-dimethoxyanilino)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 7834231
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 9229414
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)propanoate
CID 39968538

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate?
The IUPAC name of [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate (CID 9007632) is [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate.
What is the SMILES notation for [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate?
The canonical SMILES for [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate is O=C(COC(=O)[C@H](O)c1ccccc1)NCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate?
The InChIKey is AVBLVLQYGZZDPT-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H16F2N2O5/c19-13-7-6-12(8-14(13)20)22-15(23)9-21-16(24)10-27-18(26)17(25)11-4-2-1-3-5-11/h1-8,17,25H,9-10H2,(H,21,24)(H,22,23)/t17-/m1/s1.
What are the key properties of [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate?
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate has a molecular weight of 378.33 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 9007632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).