tert-butyl N-[5-[[2-(3-acetylphenoxy)acetyl]amino]-2-fluorophenyl]carbamate

C21H23FN2O5 — CID 55968285

IUPACtert-butyl N-[5-[[2-(3-acetylphenoxy)acetyl]amino]-2-fluorophenyl]carbamate
SMILESCC(=O)c1cccc(OCC(=O)Nc2ccc(F)c(NC(=O)OC(C)(C)C)c2)c1
InChIInChI=1S/C21H23FN2O5/c1-13(25)14-6-5-7-16(10-14)28-12-19(26)23-15-8-9-17(22)18(11-15)24-20(27)29-21(2,3)4/h5-11H,12H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyFHNXEOILSKJSEP-UHFFFAOYSA-N
MW402.42 g/mol
LogP4.39
Rot. Bonds6

About tert-butyl N-[5-[[2-(3-acetylphenoxy)acetyl]amino]-2-fluorophenyl]carbamate

tert-butyl N-[5-[[2-(3-acetylphenoxy)acetyl]amino]-2-fluorophenyl]carbamate (PubChem CID 55968285) has the molecular formula C21H23FN2O5 and a molecular weight of 402.42 g/mol. Its IUPAC name is tert-butyl N-[5-[[2-(3-acetylphenoxy)acetyl]amino]-2-fluorophenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[[2-(3-acetylphenoxy)acetyl]amino]-2-fluorophenyl]carbamate
PubChem CID55968285
Molecular FormulaC21H23FN2O5
Molecular Weight402.42 g/mol
Exact Mass402.16
IUPAC Nametert-butyl N-[5-[[2-(3-acetylphenoxy)acetyl]amino]-2-fluorophenyl]carbamate
SMILESCC(=O)c1cccc(OCC(=O)Nc2ccc(F)c(NC(=O)OC(C)(C)C)c2)c1
InChIInChI=1S/C21H23FN2O5/c1-13(25)14-6-5-7-16(10-14)28-12-19(26)23-15-8-9-17(22)18(11-15)24-20(27)29-21(2,3)4/h5-11H,12H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyFHNXEOILSKJSEP-UHFFFAOYSA-N
XLogP4.39
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[5-[(2-cyanoacetyl)amino]-2-fluorophenyl]carbamate
CID 168521828
N-(4-acetamidophenyl)-2-(3-acetylphenoxy)acetamide
CID 2627260
tert-butyl N-[5-[(3-acetamidobenzoyl)amino]-2-fluorophenyl]carbamate
CID 55768268
tert-butyl N-[2-fluoro-5-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]carbamate
CID 55768238
2-(3-acetylphenoxy)-N-(4-methylphenyl)acetamide
CID 2616941
tert-butyl N-[4-[[3-(2-anilino-2-oxoethoxy)phenyl]carbamoyl]phenyl]carbamate
CID 55901961
tert-butyl N-[2-fluoro-5-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamate
CID 78885273
N-(3-acetamido-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950267
tert-butyl N-[2-fluoro-5-(propylamino)phenyl]carbamate
CID 107240581
2-[4-[[2-(3-acetylphenoxy)acetyl]amino]phenyl]-N-methylacetamide
CID 35365218
[2-(3-acetylanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8520707
tert-butyl N-[2-fluoro-5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]phenyl]carbamate
CID 55968162

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[[2-(3-acetylphenoxy)acetyl]amino]-2-fluorophenyl]carbamate?
The IUPAC name of tert-butyl N-[5-[[2-(3-acetylphenoxy)acetyl]amino]-2-fluorophenyl]carbamate (CID 55968285) is tert-butyl N-[5-[[2-(3-acetylphenoxy)acetyl]amino]-2-fluorophenyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[[2-(3-acetylphenoxy)acetyl]amino]-2-fluorophenyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[[2-(3-acetylphenoxy)acetyl]amino]-2-fluorophenyl]carbamate is CC(=O)c1cccc(OCC(=O)Nc2ccc(F)c(NC(=O)OC(C)(C)C)c2)c1.
What is the InChIKey of tert-butyl N-[5-[[2-(3-acetylphenoxy)acetyl]amino]-2-fluorophenyl]carbamate?
The InChIKey is FHNXEOILSKJSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O5/c1-13(25)14-6-5-7-16(10-14)28-12-19(26)23-15-8-9-17(22)18(11-15)24-20(27)29-21(2,3)4/h5-11H,12H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of tert-butyl N-[5-[[2-(3-acetylphenoxy)acetyl]amino]-2-fluorophenyl]carbamate?
tert-butyl N-[5-[[2-(3-acetylphenoxy)acetyl]amino]-2-fluorophenyl]carbamate has a molecular weight of 402.42 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[[2-(3-acetylphenoxy)acetyl]amino]-2-fluorophenyl]carbamate is sourced from PubChem (CID 55968285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).