4-fluoro-N,N-dimethyl-5,5-diphenyl-2H-pyrrole-1-carboxamide

C19H19FN2O — CID 140503816

IUPAC4-fluoro-N,N-dimethyl-5,5-diphenyl-2H-pyrrole-1-carboxamide
SMILESCN(C)C(=O)N1CC=C(F)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19FN2O/c1-21(2)18(23)22-14-13-17(20)19(22,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13H,14H2,1-2H3
InChIKeySYLCRDUAFREAIJ-UHFFFAOYSA-N
MW310.37 g/mol
LogP3.78
Rot. Bonds2

About 4-fluoro-N,N-dimethyl-5,5-diphenyl-2H-pyrrole-1-carboxamide

4-fluoro-N,N-dimethyl-5,5-diphenyl-2H-pyrrole-1-carboxamide (PubChem CID 140503816) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is 4-fluoro-N,N-dimethyl-5,5-diphenyl-2H-pyrrole-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-N,N-dimethyl-5,5-diphenyl-2H-pyrrole-1-carboxamide
PubChem CID140503816
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC Name4-fluoro-N,N-dimethyl-5,5-diphenyl-2H-pyrrole-1-carboxamide
SMILESCN(C)C(=O)N1CC=C(F)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19FN2O/c1-21(2)18(23)22-14-13-17(20)19(22,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13H,14H2,1-2H3
InChIKeySYLCRDUAFREAIJ-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-(piperidin-4-yl)-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11675645
(2S)-4-(2,5-difluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11840968
(2S)-N-(3-aminopropyl)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 24901492
(2R,4S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(dimethylamino)-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
CID 9872808
(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(dimethylamino)-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
CID 10152974
5-Methyl-1-(1-phenethyl-piperidin-4-yl)-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10522613
1-(1-Benzyl-piperidin-4-yl)-3,5-dimethyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10594764
1-(1-Benzyl-piperidin-4-yl)-3-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10783874
(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 51002992
(2R,4R)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(dimethylamino)-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
CID 51003055
(2S)-4-(2,5-difluorophenyl)-N,N-dimethyl-2-phenylpyrrolidine-1-carboxamide
CID 6102825
(2S)-4-(2,5-difluorophenyl)-N-(1-acetylpiperidin-4-yl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 24901491

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,N-dimethyl-5,5-diphenyl-2H-pyrrole-1-carboxamide?
The IUPAC name of 4-fluoro-N,N-dimethyl-5,5-diphenyl-2H-pyrrole-1-carboxamide (CID 140503816) is 4-fluoro-N,N-dimethyl-5,5-diphenyl-2H-pyrrole-1-carboxamide.
What is the SMILES notation for 4-fluoro-N,N-dimethyl-5,5-diphenyl-2H-pyrrole-1-carboxamide?
The canonical SMILES for 4-fluoro-N,N-dimethyl-5,5-diphenyl-2H-pyrrole-1-carboxamide is CN(C)C(=O)N1CC=C(F)C1(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-fluoro-N,N-dimethyl-5,5-diphenyl-2H-pyrrole-1-carboxamide?
The InChIKey is SYLCRDUAFREAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-21(2)18(23)22-14-13-17(20)19(22,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13H,14H2,1-2H3.
What are the key properties of 4-fluoro-N,N-dimethyl-5,5-diphenyl-2H-pyrrole-1-carboxamide?
4-fluoro-N,N-dimethyl-5,5-diphenyl-2H-pyrrole-1-carboxamide has a molecular weight of 310.37 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,N-dimethyl-5,5-diphenyl-2H-pyrrole-1-carboxamide is sourced from PubChem (CID 140503816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).