N-[2-(4-fluorophenyl)ethyl]-4-pyrrol-1-ylbenzamide

C19H17FN2O — CID 9402673

IUPACN-[2-(4-fluorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C19H17FN2O/c20-17-7-3-15(4-8-17)11-12-21-19(23)16-5-9-18(10-6-16)22-13-1-2-14-22/h1-10,13-14H,11-12H2,(H,21,23)
InChIKeyXXRRHWBZKCFQOO-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.59
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-4-pyrrol-1-ylbenzamide

N-[2-(4-fluorophenyl)ethyl]-4-pyrrol-1-ylbenzamide (PubChem CID 9402673) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
PubChem CID9402673
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C19H17FN2O/c20-17-7-3-15(4-8-17)11-12-21-19(23)16-5-9-18(10-6-16)22-13-1-2-14-22/h1-10,13-14H,11-12H2,(H,21,23)
InChIKeyXXRRHWBZKCFQOO-UHFFFAOYSA-N
XLogP3.59
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 9403209
1-[2-(4-fluorophenyl)ethyl]-3-(4-pyrrol-1-ylphenyl)urea
CID 108886865
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913
4-(bromomethyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 11131484
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 110795185
N-propyl-4-pyrrol-1-ylbenzamide
CID 24536436
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-pyrrol-1-ylbenzamide
CID 110308956
N-[2-(4-fluorophenyl)ethyl]-4-formylbenzamide
CID 87952019
4-fluoro-N-(4-pyrrol-1-ylphenyl)benzamide
CID 2768248
4-pyrrol-1-yl-N-(2-pyrrol-1-ylethyl)benzamide
CID 110742702
N-[2-(4-fluorophenyl)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)benzamide
CID 86613992

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-pyrrol-1-ylbenzamide (CID 9402673) is N-[2-(4-fluorophenyl)ethyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-pyrrol-1-ylbenzamide is O=C(NCCc1ccc(F)cc1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is XXRRHWBZKCFQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c20-17-7-3-15(4-8-17)11-12-21-19(23)16-5-9-18(10-6-16)22-13-1-2-14-22/h1-10,13-14H,11-12H2,(H,21,23).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-pyrrol-1-ylbenzamide?
N-[2-(4-fluorophenyl)ethyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 308.36 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 9402673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).