benzyl N-[[5-(4-fluorophenyl)-3H-pyrrol-2-yl]methyl]carbamate

C19H17FN2O2 — CID 58178781

IUPACbenzyl N-[[5-(4-fluorophenyl)-3H-pyrrol-2-yl]methyl]carbamate
SMILESO=C(NCC1=NC(c2ccc(F)cc2)=CC1)OCc1ccccc1
InChIInChI=1S/C19H17FN2O2/c20-16-8-6-15(7-9-16)18-11-10-17(22-18)12-21-19(23)24-13-14-4-2-1-3-5-14/h1-9,11H,10,12-13H2,(H,21,23)
InChIKeyYZYXZFSSVFPRSM-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.94
Rot. Bonds5

About benzyl N-[[5-(4-fluorophenyl)-3H-pyrrol-2-yl]methyl]carbamate

benzyl N-[[5-(4-fluorophenyl)-3H-pyrrol-2-yl]methyl]carbamate (PubChem CID 58178781) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is benzyl N-[[5-(4-fluorophenyl)-3H-pyrrol-2-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[5-(4-fluorophenyl)-3H-pyrrol-2-yl]methyl]carbamate
PubChem CID58178781
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Namebenzyl N-[[5-(4-fluorophenyl)-3H-pyrrol-2-yl]methyl]carbamate
SMILESO=C(NCC1=NC(c2ccc(F)cc2)=CC1)OCc1ccccc1
InChIInChI=1S/C19H17FN2O2/c20-16-8-6-15(7-9-16)18-11-10-17(22-18)12-21-19(23)24-13-14-4-2-1-3-5-14/h1-9,11H,10,12-13H2,(H,21,23)
InChIKeyYZYXZFSSVFPRSM-UHFFFAOYSA-N
XLogP3.94
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[[5-(4-fluorophenyl)-3H-pyrrol-2-yl]methyl]carbamate?
The IUPAC name of benzyl N-[[5-(4-fluorophenyl)-3H-pyrrol-2-yl]methyl]carbamate (CID 58178781) is benzyl N-[[5-(4-fluorophenyl)-3H-pyrrol-2-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[5-(4-fluorophenyl)-3H-pyrrol-2-yl]methyl]carbamate?
The canonical SMILES for benzyl N-[[5-(4-fluorophenyl)-3H-pyrrol-2-yl]methyl]carbamate is O=C(NCC1=NC(c2ccc(F)cc2)=CC1)OCc1ccccc1.
What is the InChIKey of benzyl N-[[5-(4-fluorophenyl)-3H-pyrrol-2-yl]methyl]carbamate?
The InChIKey is YZYXZFSSVFPRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c20-16-8-6-15(7-9-16)18-11-10-17(22-18)12-21-19(23)24-13-14-4-2-1-3-5-14/h1-9,11H,10,12-13H2,(H,21,23).
What are the key properties of benzyl N-[[5-(4-fluorophenyl)-3H-pyrrol-2-yl]methyl]carbamate?
benzyl N-[[5-(4-fluorophenyl)-3H-pyrrol-2-yl]methyl]carbamate has a molecular weight of 324.36 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[5-(4-fluorophenyl)-3H-pyrrol-2-yl]methyl]carbamate is sourced from PubChem (CID 58178781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).