benzyl N-(3-fluoro-4-pyrrol-1-ylphenyl)carbamate

C18H15FN2O2 — CID 10828739

IUPACbenzyl N-(3-fluoro-4-pyrrol-1-ylphenyl)carbamate
SMILESO=C(Nc1ccc(-n2cccc2)c(F)c1)OCc1ccccc1
InChIInChI=1S/C18H15FN2O2/c19-16-12-15(8-9-17(16)21-10-4-5-11-21)20-18(22)23-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,20,22)
InChIKeyIHPGABPMYRBPMG-UHFFFAOYSA-N
MW310.33 g/mol
LogP4.37
Rot. Bonds4

About benzyl N-(3-fluoro-4-pyrrol-1-ylphenyl)carbamate

benzyl N-(3-fluoro-4-pyrrol-1-ylphenyl)carbamate (PubChem CID 10828739) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is benzyl N-(3-fluoro-4-pyrrol-1-ylphenyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(3-fluoro-4-pyrrol-1-ylphenyl)carbamate
PubChem CID10828739
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Namebenzyl N-(3-fluoro-4-pyrrol-1-ylphenyl)carbamate
SMILESO=C(Nc1ccc(-n2cccc2)c(F)c1)OCc1ccccc1
InChIInChI=1S/C18H15FN2O2/c19-16-12-15(8-9-17(16)21-10-4-5-11-21)20-18(22)23-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,20,22)
InChIKeyIHPGABPMYRBPMG-UHFFFAOYSA-N
XLogP4.37
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-pyridin-3-ylcarbamate
CID 4323589
4-Pyridinylmethyl 3-(trifluoromethyl)phenylcarbamate
CID 901058
Benzyl pyridin-4-ylcarbamate
CID 4323925
(4-fluorophenyl)methyl (4R)-3,3-difluoro-4-[(pyridin-4-ylamino)methyl]piperidine-1-carboxylate
CID 134543455
2-(4-Fluorophenyl)-5-(1-benzyloxycarbonylpiperidin-4-yl)-3-(4-pyridinyl)pyrrole
CID 18626421
CARBANILIC ACID, p-METHYL-, 4-PYRIDYLMETHYL ESTER
CID 21000
Benzyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethylcarbamate
CID 3242494
Benzyl 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethylcarbamate
CID 3244936
benzyl 2-(5-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-pyrrol-2-yl)pyrrolidine-1-carboxylate
CID 44411146
Benzyl pyrrole-1-carboxylate
CID 359024
(4-fluorophenyl)methyl (4R)-3,3-difluoro-4-[[(3-fluoropyridin-4-yl)amino]methyl]piperidine-1-carboxylate
CID 134542499
CARBANILIC ACID, p-FLUORO-, 4-PYRIDYLMETHYL ESTER
CID 21001

Frequently Asked Questions

What is the IUPAC name of benzyl N-(3-fluoro-4-pyrrol-1-ylphenyl)carbamate?
The IUPAC name of benzyl N-(3-fluoro-4-pyrrol-1-ylphenyl)carbamate (CID 10828739) is benzyl N-(3-fluoro-4-pyrrol-1-ylphenyl)carbamate.
What is the SMILES notation for benzyl N-(3-fluoro-4-pyrrol-1-ylphenyl)carbamate?
The canonical SMILES for benzyl N-(3-fluoro-4-pyrrol-1-ylphenyl)carbamate is O=C(Nc1ccc(-n2cccc2)c(F)c1)OCc1ccccc1.
What is the InChIKey of benzyl N-(3-fluoro-4-pyrrol-1-ylphenyl)carbamate?
The InChIKey is IHPGABPMYRBPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c19-16-12-15(8-9-17(16)21-10-4-5-11-21)20-18(22)23-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,20,22).
What are the key properties of benzyl N-(3-fluoro-4-pyrrol-1-ylphenyl)carbamate?
benzyl N-(3-fluoro-4-pyrrol-1-ylphenyl)carbamate has a molecular weight of 310.33 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3-fluoro-4-pyrrol-1-ylphenyl)carbamate is sourced from PubChem (CID 10828739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).