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

C19H19FN2O — CID 10041052

IUPAC4-(2-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide
SMILESCN(C)C(=O)N1CC(c2ccccc2F)=CC1c1ccccc1
InChIInChI=1S/C19H19FN2O/c1-21(2)19(23)22-13-15(16-10-6-7-11-17(16)20)12-18(22)14-8-4-3-5-9-14/h3-12,18H,13H2,1-2H3
InChIKeyBRGDRIVCZGPSJC-UHFFFAOYSA-N
MW310.37 g/mol
LogP3.95
Rot. Bonds2

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

4-(2-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide (PubChem CID 10041052) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide
PubChem CID10041052
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC Name4-(2-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide
SMILESCN(C)C(=O)N1CC(c2ccccc2F)=CC1c1ccccc1
InChIInChI=1S/C19H19FN2O/c1-21(2)19(23)22-13-15(16-10-6-7-11-17(16)20)12-18(22)14-8-4-3-5-9-14/h3-12,18H,13H2,1-2H3
InChIKeyBRGDRIVCZGPSJC-UHFFFAOYSA-N
XLogP3.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide (CID 10041052) is 4-(2-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide is CN(C)C(=O)N1CC(c2ccccc2F)=CC1c1ccccc1.
What is the InChIKey of 4-(2-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide?
The InChIKey is BRGDRIVCZGPSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-21(2)19(23)22-13-15(16-10-6-7-11-17(16)20)12-18(22)14-8-4-3-5-9-14/h3-12,18H,13H2,1-2H3.
What are the key properties of 4-(2-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide?
4-(2-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide has a molecular weight of 310.37 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide is sourced from PubChem (CID 10041052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).