tert-butyl N-[2-(2-benzoyl-4-fluoroanilino)-2-oxoethyl]carbamate

C20H21FN2O4 — CID 134330144

IUPACtert-butyl N-[2-(2-benzoyl-4-fluoroanilino)-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Nc1ccc(F)cc1C(=O)c1ccccc1
InChIInChI=1S/C20H21FN2O4/c1-20(2,3)27-19(26)22-12-17(24)23-16-10-9-14(21)11-15(16)18(25)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,22,26)(H,23,24)
InChIKeyLPCUAHSDSDBRSF-UHFFFAOYSA-N
MW372.40 g/mol
LogP3.52
Rot. Bonds5

About tert-butyl N-[2-(2-benzoyl-4-fluoroanilino)-2-oxoethyl]carbamate

tert-butyl N-[2-(2-benzoyl-4-fluoroanilino)-2-oxoethyl]carbamate (PubChem CID 134330144) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is tert-butyl N-[2-(2-benzoyl-4-fluoroanilino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-benzoyl-4-fluoroanilino)-2-oxoethyl]carbamate
PubChem CID134330144
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Nametert-butyl N-[2-(2-benzoyl-4-fluoroanilino)-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Nc1ccc(F)cc1C(=O)c1ccccc1
InChIInChI=1S/C20H21FN2O4/c1-20(2,3)27-19(26)22-12-17(24)23-16-10-9-14(21)11-15(16)18(25)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,22,26)(H,23,24)
InChIKeyLPCUAHSDSDBRSF-UHFFFAOYSA-N
XLogP3.52
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-benzoyl-4-fluoroanilino)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-benzoyl-4-fluoroanilino)-2-oxoethyl]carbamate (CID 134330144) is tert-butyl N-[2-(2-benzoyl-4-fluoroanilino)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-benzoyl-4-fluoroanilino)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-benzoyl-4-fluoroanilino)-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)Nc1ccc(F)cc1C(=O)c1ccccc1.
What is the InChIKey of tert-butyl N-[2-(2-benzoyl-4-fluoroanilino)-2-oxoethyl]carbamate?
The InChIKey is LPCUAHSDSDBRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-20(2,3)27-19(26)22-12-17(24)23-16-10-9-14(21)11-15(16)18(25)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,22,26)(H,23,24).
What are the key properties of tert-butyl N-[2-(2-benzoyl-4-fluoroanilino)-2-oxoethyl]carbamate?
tert-butyl N-[2-(2-benzoyl-4-fluoroanilino)-2-oxoethyl]carbamate has a molecular weight of 372.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-benzoyl-4-fluoroanilino)-2-oxoethyl]carbamate is sourced from PubChem (CID 134330144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).