[2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]-3-methylbutanoate

C20H19F2NO4 — CID 4013752

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]-3-methylbutanoate
SMILESCC(C)C(NC(=O)c1ccccc1F)C(=O)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C20H19F2NO4/c1-12(2)18(23-19(25)15-5-3-4-6-16(15)22)20(26)27-11-17(24)13-7-9-14(21)10-8-13/h3-10,12,18H,11H2,1-2H3,(H,23,25)
InChIKeyAPNLBOZRPKHVFO-UHFFFAOYSA-N
MW375.37 g/mol
LogP3.15
Rot. Bonds7

About [2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]-3-methylbutanoate

[2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]-3-methylbutanoate (PubChem CID 4013752) has the molecular formula C20H19F2NO4 and a molecular weight of 375.37 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]-3-methylbutanoate
PubChem CID4013752
Molecular FormulaC20H19F2NO4
Molecular Weight375.37 g/mol
Exact Mass375.13
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]-3-methylbutanoate
SMILESCC(C)C(NC(=O)c1ccccc1F)C(=O)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C20H19F2NO4/c1-12(2)18(23-19(25)15-5-3-4-6-16(15)22)20(26)27-11-17(24)13-7-9-14(21)10-8-13/h3-10,12,18H,11H2,1-2H3,(H,23,25)
InChIKeyAPNLBOZRPKHVFO-UHFFFAOYSA-N
XLogP3.15
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]-3-methylbutanoate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]-3-methylbutanoate (CID 4013752) is [2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]-3-methylbutanoate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]-3-methylbutanoate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]-3-methylbutanoate is CC(C)C(NC(=O)c1ccccc1F)C(=O)OCC(=O)c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]-3-methylbutanoate?
The InChIKey is APNLBOZRPKHVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2NO4/c1-12(2)18(23-19(25)15-5-3-4-6-16(15)22)20(26)27-11-17(24)13-7-9-14(21)10-8-13/h3-10,12,18H,11H2,1-2H3,(H,23,25).
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]-3-methylbutanoate?
[2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]-3-methylbutanoate has a molecular weight of 375.37 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]-3-methylbutanoate is sourced from PubChem (CID 4013752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).