5-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide

C25H28FN3O — CID 4209005

IUPAC5-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide
SMILESCc1cccc(-n2c(-c3ccc(F)cc3)cc(C(=O)NCCN3CCCC3)c2C)c1
InChIInChI=1S/C25H28FN3O/c1-18-6-5-7-22(16-18)29-19(2)23(17-24(29)20-8-10-21(26)11-9-20)25(30)27-12-15-28-13-3-4-14-28/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,27,30)
InChIKeySTWRMAFCAQSWHG-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.73
Rot. Bonds6

About 5-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide

5-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide (PubChem CID 4209005) has the molecular formula C25H28FN3O and a molecular weight of 405.52 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide
PubChem CID4209005
Molecular FormulaC25H28FN3O
Molecular Weight405.52 g/mol
Exact Mass405.22
IUPAC Name5-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide
SMILESCc1cccc(-n2c(-c3ccc(F)cc3)cc(C(=O)NCCN3CCCC3)c2C)c1
InChIInChI=1S/C25H28FN3O/c1-18-6-5-7-22(16-18)29-19(2)23(17-24(29)20-8-10-21(26)11-9-20)25(30)27-12-15-28-13-3-4-14-28/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,27,30)
InChIKeySTWRMAFCAQSWHG-UHFFFAOYSA-N
XLogP4.73
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-1-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)pyrrole-3-carboxamide
CID 119447744
5-(4-fluorophenyl)-2-methyl-1-(4-methylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-3-carboxamide
CID 7289303
5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-methyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 42785639
5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide
CID 46126596
1-(4-fluorophenyl)-2-methyl-5-phenyl-N-propylpyrrole-3-carboxamide
CID 7212800
5-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 7306840
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 42785293
5-(4-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 42785508
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 45278886
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide
CID 42266695
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 45278885
3-methyl-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 126477808

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide (CID 4209005) is 5-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide is Cc1cccc(-n2c(-c3ccc(F)cc3)cc(C(=O)NCCN3CCCC3)c2C)c1.
What is the InChIKey of 5-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide?
The InChIKey is STWRMAFCAQSWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O/c1-18-6-5-7-22(16-18)29-19(2)23(17-24(29)20-8-10-21(26)11-9-20)25(30)27-12-15-28-13-3-4-14-28/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,27,30).
What are the key properties of 5-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide?
5-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 4209005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).