tert-butyl N-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-4-(trifluoromethyl)phenyl]carbamate

C22H23F3N2O4 — CID 60557656

IUPACtert-butyl N-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-4-(trifluoromethyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C22H23F3N2O4/c1-21(2,3)31-20(29)27-16-6-5-15(22(23,24)25)12-17(16)26-19(28)11-13-4-7-18-14(10-13)8-9-30-18/h4-7,10,12H,8-9,11H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyBATFWGJNLWWRLN-UHFFFAOYSA-N
MW436.43 g/mol
LogP5.17
Rot. Bonds4

About tert-butyl N-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-4-(trifluoromethyl)phenyl]carbamate

tert-butyl N-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-4-(trifluoromethyl)phenyl]carbamate (PubChem CID 60557656) has the molecular formula C22H23F3N2O4 and a molecular weight of 436.43 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-4-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-4-(trifluoromethyl)phenyl]carbamate
PubChem CID60557656
Molecular FormulaC22H23F3N2O4
Molecular Weight436.43 g/mol
Exact Mass436.16
IUPAC Nametert-butyl N-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-4-(trifluoromethyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C22H23F3N2O4/c1-21(2,3)31-20(29)27-16-6-5-15(22(23,24)25)12-17(16)26-19(28)11-13-4-7-18-14(10-13)8-9-30-18/h4-7,10,12H,8-9,11H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyBATFWGJNLWWRLN-UHFFFAOYSA-N
XLogP5.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.43
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-4-(trifluoromethyl)phenyl]carbamate with MolForge

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide
CID 51310380
tert-butyl N-[2-(oxane-4-carbonylamino)-4-(trifluoromethyl)phenyl]carbamate
CID 87046246
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-fluorophenyl)acetamide
CID 51309459
3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 55486107
N-(2-chloro-4-fluorophenyl)-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 51309755
tert-butyl N-[2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]-4-(trifluoromethyl)phenyl]carbamate
CID 60557364
tert-butyl N-[2-(2,3-dihydro-1-benzofuran-2-carbonylamino)-4-(trifluoromethyl)phenyl]carbamate
CID 60557557
tert-butyl N-[1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-2-yl]carbamate
CID 146515239
N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-(1,3-benzodioxol-5-yl)propanamide
CID 48524539
(2R)-4-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 124678500
5-(trifluoromethyl)-2,3-dihydro-1-benzofuran
CID 83397414
tert-butyl N-[2-iodo-5-(trifluoromethyl)phenyl]carbamate
CID 121016303

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-4-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-4-(trifluoromethyl)phenyl]carbamate (CID 60557656) is tert-butyl N-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-4-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-4-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-4-(trifluoromethyl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc2c(c1)CCO2.
What is the InChIKey of tert-butyl N-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-4-(trifluoromethyl)phenyl]carbamate?
The InChIKey is BATFWGJNLWWRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O4/c1-21(2,3)31-20(29)27-16-6-5-15(22(23,24)25)12-17(16)26-19(28)11-13-4-7-18-14(10-13)8-9-30-18/h4-7,10,12H,8-9,11H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of tert-butyl N-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-4-(trifluoromethyl)phenyl]carbamate?
tert-butyl N-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-4-(trifluoromethyl)phenyl]carbamate has a molecular weight of 436.43 g/mol, XLogP of 5.17, 4 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-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-4-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 60557656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).