N-(4-fluorophenyl)-3-phenyl-2,5-dihydropyrrole-1-carboxamide

C17H15FN2O — CID 75401002

IUPACN-(4-fluorophenyl)-3-phenyl-2,5-dihydropyrrole-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CC=C(c2ccccc2)C1
InChIInChI=1S/C17H15FN2O/c18-15-6-8-16(9-7-15)19-17(21)20-11-10-14(12-20)13-4-2-1-3-5-13/h1-10H,11-12H2,(H,19,21)
InChIKeyRXJDALMMLFDDMR-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.76
Rot. Bonds2

About N-(4-fluorophenyl)-3-phenyl-2,5-dihydropyrrole-1-carboxamide

N-(4-fluorophenyl)-3-phenyl-2,5-dihydropyrrole-1-carboxamide (PubChem CID 75401002) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-phenyl-2,5-dihydropyrrole-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-phenyl-2,5-dihydropyrrole-1-carboxamide
PubChem CID75401002
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC NameN-(4-fluorophenyl)-3-phenyl-2,5-dihydropyrrole-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CC=C(c2ccccc2)C1
InChIInChI=1S/C17H15FN2O/c18-15-6-8-16(9-7-15)19-17(21)20-11-10-14(12-20)13-4-2-1-3-5-13/h1-10H,11-12H2,(H,19,21)
InChIKeyRXJDALMMLFDDMR-UHFFFAOYSA-N
XLogP3.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(4-fluorophenyl)-3-phenyl-2,5-dihydropyrrole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-phenyl-2,5-dihydropyrrole-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-phenyl-2,5-dihydropyrrole-1-carboxamide (CID 75401002) is N-(4-fluorophenyl)-3-phenyl-2,5-dihydropyrrole-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-phenyl-2,5-dihydropyrrole-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-phenyl-2,5-dihydropyrrole-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CC=C(c2ccccc2)C1.
What is the InChIKey of N-(4-fluorophenyl)-3-phenyl-2,5-dihydropyrrole-1-carboxamide?
The InChIKey is RXJDALMMLFDDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c18-15-6-8-16(9-7-15)19-17(21)20-11-10-14(12-20)13-4-2-1-3-5-13/h1-10H,11-12H2,(H,19,21).
What are the key properties of N-(4-fluorophenyl)-3-phenyl-2,5-dihydropyrrole-1-carboxamide?
N-(4-fluorophenyl)-3-phenyl-2,5-dihydropyrrole-1-carboxamide has a molecular weight of 282.32 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-phenyl-2,5-dihydropyrrole-1-carboxamide is sourced from PubChem (CID 75401002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).