tert-butyl N-[2-fluoro-5-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamate

C20H22F2N2O3 — CID 78885273

IUPACtert-butyl N-[2-fluoro-5-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(NC(=O)CCc2cccc(F)c2)ccc1F
InChIInChI=1S/C20H22F2N2O3/c1-20(2,3)27-19(26)24-17-12-15(8-9-16(17)22)23-18(25)10-7-13-5-4-6-14(21)11-13/h4-6,8-9,11-12H,7,10H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyBIKHVRCUAMYLEY-UHFFFAOYSA-N
MW376.40 g/mol
LogP4.88
Rot. Bonds5

About tert-butyl N-[2-fluoro-5-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamate

tert-butyl N-[2-fluoro-5-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamate (PubChem CID 78885273) has the molecular formula C20H22F2N2O3 and a molecular weight of 376.40 g/mol. Its IUPAC name is tert-butyl N-[2-fluoro-5-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-fluoro-5-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamate
PubChem CID78885273
Molecular FormulaC20H22F2N2O3
Molecular Weight376.40 g/mol
Exact Mass376.16
IUPAC Nametert-butyl N-[2-fluoro-5-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(NC(=O)CCc2cccc(F)c2)ccc1F
InChIInChI=1S/C20H22F2N2O3/c1-20(2,3)27-19(26)24-17-12-15(8-9-16(17)22)23-18(25)10-7-13-5-4-6-14(21)11-13/h4-6,8-9,11-12H,7,10H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyBIKHVRCUAMYLEY-UHFFFAOYSA-N
XLogP4.88
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[4-[3-(3-fluorophenyl)propanoylamino]anilino]-2-oxoethyl]carbamate
CID 108917037
N-(4-chlorophenyl)-3-(3-fluorophenyl)propanamide
CID 41483845
tert-butyl N-[5-[(2-cyanoacetyl)amino]-2-fluorophenyl]carbamate
CID 168521828
tert-butyl N-(2,5-difluorophenyl)carbamate
CID 14690685
3-(3-fluorophenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 36590991
N-(3-acetamido-4-fluorophenyl)-3-phenylpropanamide
CID 52559111
tert-butyl N-[2-[2-[3-(3-fluorophenyl)propanoylamino]ethylamino]-2-oxoethyl]carbamate
CID 108916262
tert-butyl N-[2-fluoro-5-(propylamino)phenyl]carbamate
CID 107240581
tert-butyl N-[5-[[2-(3-acetylphenoxy)acetyl]amino]-2-fluorophenyl]carbamate
CID 55968285
tert-butyl N-[3-[[2-[3-(3-fluorophenyl)propanoylamino]phenyl]methylamino]-3-oxopropyl]carbamate
CID 108921063
tert-butyl N-[2-fluoro-5-(prop-2-ynylamino)phenyl]carbamate
CID 107240618
tert-butyl N-[2-[4-[3-(3-chlorophenyl)propanoylamino]anilino]-2-oxoethyl]carbamate
CID 108917038

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-fluoro-5-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-fluoro-5-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamate (CID 78885273) is tert-butyl N-[2-fluoro-5-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-fluoro-5-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-fluoro-5-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamate is CC(C)(C)OC(=O)Nc1cc(NC(=O)CCc2cccc(F)c2)ccc1F.
What is the InChIKey of tert-butyl N-[2-fluoro-5-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamate?
The InChIKey is BIKHVRCUAMYLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O3/c1-20(2,3)27-19(26)24-17-12-15(8-9-16(17)22)23-18(25)10-7-13-5-4-6-14(21)11-13/h4-6,8-9,11-12H,7,10H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of tert-butyl N-[2-fluoro-5-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamate?
tert-butyl N-[2-fluoro-5-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamate has a molecular weight of 376.40 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-fluoro-5-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamate is sourced from PubChem (CID 78885273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).