tert-butyl N-[[2-[(2,5-difluorobenzoyl)amino]phenyl]methyl]-N-ethylcarbamate

C21H24F2N2O3 — CID 55700706

IUPACtert-butyl N-[[2-[(2,5-difluorobenzoyl)amino]phenyl]methyl]-N-ethylcarbamate
SMILESCCN(Cc1ccccc1NC(=O)c1cc(F)ccc1F)C(=O)OC(C)(C)C
InChIInChI=1S/C21H24F2N2O3/c1-5-25(20(27)28-21(2,3)4)13-14-8-6-7-9-18(14)24-19(26)16-12-15(22)10-11-17(16)23/h6-12H,5,13H2,1-4H3,(H,24,26)
InChIKeyJKAZBEVDMPTWJI-UHFFFAOYSA-N
MW390.43 g/mol
LogP4.97
Rot. Bonds5

About tert-butyl N-[[2-[(2,5-difluorobenzoyl)amino]phenyl]methyl]-N-ethylcarbamate

tert-butyl N-[[2-[(2,5-difluorobenzoyl)amino]phenyl]methyl]-N-ethylcarbamate (PubChem CID 55700706) has the molecular formula C21H24F2N2O3 and a molecular weight of 390.43 g/mol. Its IUPAC name is tert-butyl N-[[2-[(2,5-difluorobenzoyl)amino]phenyl]methyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[(2,5-difluorobenzoyl)amino]phenyl]methyl]-N-ethylcarbamate
PubChem CID55700706
Molecular FormulaC21H24F2N2O3
Molecular Weight390.43 g/mol
Exact Mass390.18
IUPAC Nametert-butyl N-[[2-[(2,5-difluorobenzoyl)amino]phenyl]methyl]-N-ethylcarbamate
SMILESCCN(Cc1ccccc1NC(=O)c1cc(F)ccc1F)C(=O)OC(C)(C)C
InChIInChI=1S/C21H24F2N2O3/c1-5-25(20(27)28-21(2,3)4)13-14-8-6-7-9-18(14)24-19(26)16-12-15(22)10-11-17(16)23/h6-12H,5,13H2,1-4H3,(H,24,26)
InChIKeyJKAZBEVDMPTWJI-UHFFFAOYSA-N
XLogP4.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-ethyl-N-[[2-[[2-(3-fluorophenyl)acetyl]amino]phenyl]methyl]carbamate
CID 55700391
tert-butyl N-[[2-[(5-bromothiophene-3-carbonyl)amino]phenyl]methyl]-N-ethylcarbamate
CID 60557887
tert-butyl N-ethyl-N-[[2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]phenyl]methyl]carbamate
CID 60557886
tert-butyl N-ethyl-N-[[2-[[4-(methoxymethyl)benzoyl]amino]phenyl]methyl]carbamate
CID 55700705
tert-butyl N-[[2-(cyclopropanecarbonylamino)phenyl]methyl]-N-ethylcarbamate
CID 47034144
N-[2-(bromomethyl)phenyl]-2,5-difluorobenzamide
CID 113274477
tert-butyl N-[[2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]phenyl]methyl]-N-ethylcarbamate
CID 60557947
tert-butyl N-ethyl-N-[[2-(2-methylsulfanylpropanoylamino)phenyl]methyl]carbamate
CID 55973003
tert-butyl N-[[2-(3-aminopropylamino)phenyl]methyl]-N-ethylcarbamate
CID 107242573
tert-butyl N-ethyl-N-[[2-[(6-methoxy-1H-indole-2-carbonyl)amino]phenyl]methyl]carbamate
CID 60557768
N-[2-(ethoxymethyl)phenyl]-2-fluoro-5-methylbenzamide
CID 62511294
2-fluoro-N-[2-(methoxymethyl)phenyl]-5-methylbenzamide
CID 62511821

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[(2,5-difluorobenzoyl)amino]phenyl]methyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[[2-[(2,5-difluorobenzoyl)amino]phenyl]methyl]-N-ethylcarbamate (CID 55700706) is tert-butyl N-[[2-[(2,5-difluorobenzoyl)amino]phenyl]methyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[[2-[(2,5-difluorobenzoyl)amino]phenyl]methyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[[2-[(2,5-difluorobenzoyl)amino]phenyl]methyl]-N-ethylcarbamate is CCN(Cc1ccccc1NC(=O)c1cc(F)ccc1F)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-[(2,5-difluorobenzoyl)amino]phenyl]methyl]-N-ethylcarbamate?
The InChIKey is JKAZBEVDMPTWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O3/c1-5-25(20(27)28-21(2,3)4)13-14-8-6-7-9-18(14)24-19(26)16-12-15(22)10-11-17(16)23/h6-12H,5,13H2,1-4H3,(H,24,26).
What are the key properties of tert-butyl N-[[2-[(2,5-difluorobenzoyl)amino]phenyl]methyl]-N-ethylcarbamate?
tert-butyl N-[[2-[(2,5-difluorobenzoyl)amino]phenyl]methyl]-N-ethylcarbamate has a molecular weight of 390.43 g/mol, XLogP of 4.97, 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-[(2,5-difluorobenzoyl)amino]phenyl]methyl]-N-ethylcarbamate is sourced from PubChem (CID 55700706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).