tert-butyl 2-[(2-fluoro-4-phenylbenzoyl)amino]acetate

C19H20FNO3 — CID 169197777

IUPACtert-butyl 2-[(2-fluoro-4-phenylbenzoyl)amino]acetate
SMILESCC(C)(C)OC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1F
InChIInChI=1S/C19H20FNO3/c1-19(2,3)24-17(22)12-21-18(23)15-10-9-14(11-16(15)20)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyWVOLRNPPQZYSJG-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.56
Rot. Bonds4

About tert-butyl 2-[(2-fluoro-4-phenylbenzoyl)amino]acetate

tert-butyl 2-[(2-fluoro-4-phenylbenzoyl)amino]acetate (PubChem CID 169197777) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is tert-butyl 2-[(2-fluoro-4-phenylbenzoyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2-fluoro-4-phenylbenzoyl)amino]acetate
PubChem CID169197777
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Nametert-butyl 2-[(2-fluoro-4-phenylbenzoyl)amino]acetate
SMILESCC(C)(C)OC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1F
InChIInChI=1S/C19H20FNO3/c1-19(2,3)24-17(22)12-21-18(23)15-10-9-14(11-16(15)20)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyWVOLRNPPQZYSJG-UHFFFAOYSA-N
XLogP3.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[(2-chlorobenzoyl)amino]acetate
CID 78966461
propan-2-yl 2-[[4-(3,4-dimethylphenyl)-2-fluorobenzoyl]amino]acetate
CID 86898563
2-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
CID 82723711
tert-butyl 2-[N-(2,6-difluorobenzoyl)-3-(3,4-difluorophenyl)anilino]acetate
CID 59029180
N-ethyl-2-fluoro-4-(4-formylphenyl)benzamide
CID 75537237
tert-butyl N-[2-[[2-fluoro-5-(2-fluorophenyl)benzoyl]amino]ethyl]carbamate
CID 129048291
ethane;2-fluoro-4-phenylbenzamide;molecular hydrogen
CID 143768800
tert-butyl N-[3-fluoro-2-[(4-phenylphenoxy)methyl]prop-2-enyl]carbamate
CID 160720200
6-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]hexanoic acid
CID 119220141
(3,3-dimethyl-2-oxobutyl) 2-[(2-fluorobenzoyl)amino]acetate
CID 9270451
cyclohexyl 2-[(2-amino-4-phenylbenzoyl)amino]acetate
CID 69349060
tert-butyl 2-(2-anilinoethylamino)acetate
CID 69347294

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-fluoro-4-phenylbenzoyl)amino]acetate?
The IUPAC name of tert-butyl 2-[(2-fluoro-4-phenylbenzoyl)amino]acetate (CID 169197777) is tert-butyl 2-[(2-fluoro-4-phenylbenzoyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(2-fluoro-4-phenylbenzoyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[(2-fluoro-4-phenylbenzoyl)amino]acetate is CC(C)(C)OC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1F.
What is the InChIKey of tert-butyl 2-[(2-fluoro-4-phenylbenzoyl)amino]acetate?
The InChIKey is WVOLRNPPQZYSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-19(2,3)24-17(22)12-21-18(23)15-10-9-14(11-16(15)20)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,21,23).
What are the key properties of tert-butyl 2-[(2-fluoro-4-phenylbenzoyl)amino]acetate?
tert-butyl 2-[(2-fluoro-4-phenylbenzoyl)amino]acetate has a molecular weight of 329.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-fluoro-4-phenylbenzoyl)amino]acetate is sourced from PubChem (CID 169197777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).