tert-butyl N-[[5-[(3-fluorophenyl)methylcarbamoyl]furan-2-yl]methyl]carbamate

C18H21FN2O4 — CID 71995210

IUPACtert-butyl N-[[5-[(3-fluorophenyl)methylcarbamoyl]furan-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(C(=O)NCc2cccc(F)c2)o1
InChIInChI=1S/C18H21FN2O4/c1-18(2,3)25-17(23)21-11-14-7-8-15(24-14)16(22)20-10-12-5-4-6-13(19)9-12/h4-9H,10-11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyUMQKOLACHIDQSC-UHFFFAOYSA-N
MW348.37 g/mol
LogP3.37
Rot. Bonds5

About tert-butyl N-[[5-[(3-fluorophenyl)methylcarbamoyl]furan-2-yl]methyl]carbamate

tert-butyl N-[[5-[(3-fluorophenyl)methylcarbamoyl]furan-2-yl]methyl]carbamate (PubChem CID 71995210) has the molecular formula C18H21FN2O4 and a molecular weight of 348.37 g/mol. Its IUPAC name is tert-butyl N-[[5-[(3-fluorophenyl)methylcarbamoyl]furan-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-[(3-fluorophenyl)methylcarbamoyl]furan-2-yl]methyl]carbamate
PubChem CID71995210
Molecular FormulaC18H21FN2O4
Molecular Weight348.37 g/mol
Exact Mass348.15
IUPAC Nametert-butyl N-[[5-[(3-fluorophenyl)methylcarbamoyl]furan-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(C(=O)NCc2cccc(F)c2)o1
InChIInChI=1S/C18H21FN2O4/c1-18(2,3)25-17(23)21-11-14-7-8-15(24-14)16(22)20-10-12-5-4-6-13(19)9-12/h4-9H,10-11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyUMQKOLACHIDQSC-UHFFFAOYSA-N
XLogP3.37
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[[N-[(3-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111877636
tert-butyl N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]carbamate
CID 58686888
tert-butyl N-[[5-[(4-aminophenyl)carbamoyl]furan-2-yl]methyl]carbamate
CID 140688111
5-[[[2-(3-fluorophenyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 84586226
tert-butyl N-[[5-[ethyl(methyl)carbamoyl]furan-2-yl]methyl]carbamate
CID 71995203
tert-butyl N-[2-amino-4-(3-fluorophenyl)-2-methylbutyl]carbamate
CID 84730991
tert-butyl N-[2-[(3-fluorophenyl)methylamino]pentyl]carbamate
CID 107253789
tert-butyl N-[2-[[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108918556
tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate
CID 66616766
tert-butyl N-[[5-[1-(5-methylfuran-2-yl)ethylcarbamoyl]furan-2-yl]methyl]carbamate
CID 71995178
5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-fluorophenyl)methyl]furan-2-carboxamide
CID 22554522
tert-butyl N-[3-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-oxopropyl]carbamate
CID 38525612

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-[(3-fluorophenyl)methylcarbamoyl]furan-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-[(3-fluorophenyl)methylcarbamoyl]furan-2-yl]methyl]carbamate (CID 71995210) is tert-butyl N-[[5-[(3-fluorophenyl)methylcarbamoyl]furan-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-[(3-fluorophenyl)methylcarbamoyl]furan-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-[(3-fluorophenyl)methylcarbamoyl]furan-2-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(C(=O)NCc2cccc(F)c2)o1.
What is the InChIKey of tert-butyl N-[[5-[(3-fluorophenyl)methylcarbamoyl]furan-2-yl]methyl]carbamate?
The InChIKey is UMQKOLACHIDQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4/c1-18(2,3)25-17(23)21-11-14-7-8-15(24-14)16(22)20-10-12-5-4-6-13(19)9-12/h4-9H,10-11H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of tert-butyl N-[[5-[(3-fluorophenyl)methylcarbamoyl]furan-2-yl]methyl]carbamate?
tert-butyl N-[[5-[(3-fluorophenyl)methylcarbamoyl]furan-2-yl]methyl]carbamate has a molecular weight of 348.37 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-[(3-fluorophenyl)methylcarbamoyl]furan-2-yl]methyl]carbamate is sourced from PubChem (CID 71995210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).