tert-butyl N-(2-fluoro-3-oxo-1,3-diphenylpropyl)carbamate

C20H22FNO3 — CID 135034070

IUPACtert-butyl N-(2-fluoro-3-oxo-1,3-diphenylpropyl)carbamate
SMILESCC(C)(C)OC(=O)NC(c1ccccc1)C(F)C(=O)c1ccccc1
InChIInChI=1S/C20H22FNO3/c1-20(2,3)25-19(24)22-17(14-10-6-4-7-11-14)16(21)18(23)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3,(H,22,24)
InChIKeyLRHZBWBIJQEMFL-UHFFFAOYSA-N
MW343.40 g/mol
LogP4.47
Rot. Bonds5

About tert-butyl N-(2-fluoro-3-oxo-1,3-diphenylpropyl)carbamate

tert-butyl N-(2-fluoro-3-oxo-1,3-diphenylpropyl)carbamate (PubChem CID 135034070) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is tert-butyl N-(2-fluoro-3-oxo-1,3-diphenylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-fluoro-3-oxo-1,3-diphenylpropyl)carbamate
PubChem CID135034070
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Nametert-butyl N-(2-fluoro-3-oxo-1,3-diphenylpropyl)carbamate
SMILESCC(C)(C)OC(=O)NC(c1ccccc1)C(F)C(=O)c1ccccc1
InChIInChI=1S/C20H22FNO3/c1-20(2,3)25-19(24)22-17(14-10-6-4-7-11-14)16(21)18(23)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3,(H,22,24)
InChIKeyLRHZBWBIJQEMFL-UHFFFAOYSA-N
XLogP4.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-diphenylbutyl]carbamate
CID 15294700
(1S,2R)-1-amino-1-phenylpropan-2-ol;tert-butyl N-[(1S,2R)-2-hydroxy-1-phenylpropyl]carbamate
CID 157326736
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 56828048
tert-butyl N-[(1R,2R)-2-amino-1-phenylpropyl]carbamate
CID 102077726
tert-butyl N-(2-amino-2-hydroxy-1-phenylethyl)carbamate
CID 20805642
tert-butyl N-[(1R)-2,2-dicyano-1-phenylethyl]carbamate
CID 122398460
tert-butyl N-(2-ethyl-1-phenylbutyl)carbamate
CID 18378512
tert-butyl N-(2-methyl-3-oxo-1-phenylpropyl)carbamate
CID 24788666
(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 7010686
tert-butyl N-(4,4-dicyano-2-methyl-1,3-diphenylbut-3-enyl)carbamate
CID 135004110
tert-butyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate
CID 15743702
tert-butyl N-[(1R,2R)-2-nitro-1-phenylpropyl]carbamate
CID 102077718

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-fluoro-3-oxo-1,3-diphenylpropyl)carbamate?
The IUPAC name of tert-butyl N-(2-fluoro-3-oxo-1,3-diphenylpropyl)carbamate (CID 135034070) is tert-butyl N-(2-fluoro-3-oxo-1,3-diphenylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-fluoro-3-oxo-1,3-diphenylpropyl)carbamate?
The canonical SMILES for tert-butyl N-(2-fluoro-3-oxo-1,3-diphenylpropyl)carbamate is CC(C)(C)OC(=O)NC(c1ccccc1)C(F)C(=O)c1ccccc1.
What is the InChIKey of tert-butyl N-(2-fluoro-3-oxo-1,3-diphenylpropyl)carbamate?
The InChIKey is LRHZBWBIJQEMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3/c1-20(2,3)25-19(24)22-17(14-10-6-4-7-11-14)16(21)18(23)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3,(H,22,24).
What are the key properties of tert-butyl N-(2-fluoro-3-oxo-1,3-diphenylpropyl)carbamate?
tert-butyl N-(2-fluoro-3-oxo-1,3-diphenylpropyl)carbamate has a molecular weight of 343.40 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-fluoro-3-oxo-1,3-diphenylpropyl)carbamate is sourced from PubChem (CID 135034070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).