[4-[N-benzyl-4-(trifluoromethyl)anilino]-1-methylpyrrol-2-yl]-pyrrolidin-1-ylmethanone

C24H24F3N3O — CID 44568460

IUPAC[4-[N-benzyl-4-(trifluoromethyl)anilino]-1-methylpyrrol-2-yl]-pyrrolidin-1-ylmethanone
SMILESCn1cc(N(Cc2ccccc2)c2ccc(C(F)(F)F)cc2)cc1C(=O)N1CCCC1
InChIInChI=1S/C24H24F3N3O/c1-28-17-21(15-22(28)23(31)29-13-5-6-14-29)30(16-18-7-3-2-4-8-18)20-11-9-19(10-12-20)24(25,26)27/h2-4,7-12,15,17H,5-6,13-14,16H2,1H3
InChIKeyWSKLDJRIBICHHV-UHFFFAOYSA-N
MW427.47 g/mol
LogP5.62
Rot. Bonds5

About [4-[N-benzyl-4-(trifluoromethyl)anilino]-1-methylpyrrol-2-yl]-pyrrolidin-1-ylmethanone

[4-[N-benzyl-4-(trifluoromethyl)anilino]-1-methylpyrrol-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 44568460) has the molecular formula C24H24F3N3O and a molecular weight of 427.47 g/mol. Its IUPAC name is [4-[N-benzyl-4-(trifluoromethyl)anilino]-1-methylpyrrol-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[N-benzyl-4-(trifluoromethyl)anilino]-1-methylpyrrol-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID44568460
Molecular FormulaC24H24F3N3O
Molecular Weight427.47 g/mol
Exact Mass427.19
IUPAC Name[4-[N-benzyl-4-(trifluoromethyl)anilino]-1-methylpyrrol-2-yl]-pyrrolidin-1-ylmethanone
SMILESCn1cc(N(Cc2ccccc2)c2ccc(C(F)(F)F)cc2)cc1C(=O)N1CCCC1
InChIInChI=1S/C24H24F3N3O/c1-28-17-21(15-22(28)23(31)29-13-5-6-14-29)30(16-18-7-3-2-4-8-18)20-11-9-19(10-12-20)24(25,26)27/h2-4,7-12,15,17H,5-6,13-14,16H2,1H3
InChIKeyWSKLDJRIBICHHV-UHFFFAOYSA-N
XLogP5.62
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.47
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[N-benzyl-4-(trifluoromethyl)anilino]-1-methylpyrrol-2-yl]-pyrrolidin-1-ylmethanone 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 [4-[N-benzyl-4-(trifluoromethyl)anilino]-1-methylpyrrol-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[N-benzyl-4-(trifluoromethyl)anilino]-1-methylpyrrol-2-yl]-pyrrolidin-1-ylmethanone (CID 44568460) is [4-[N-benzyl-4-(trifluoromethyl)anilino]-1-methylpyrrol-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[N-benzyl-4-(trifluoromethyl)anilino]-1-methylpyrrol-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[N-benzyl-4-(trifluoromethyl)anilino]-1-methylpyrrol-2-yl]-pyrrolidin-1-ylmethanone is Cn1cc(N(Cc2ccccc2)c2ccc(C(F)(F)F)cc2)cc1C(=O)N1CCCC1.
What is the InChIKey of [4-[N-benzyl-4-(trifluoromethyl)anilino]-1-methylpyrrol-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is WSKLDJRIBICHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O/c1-28-17-21(15-22(28)23(31)29-13-5-6-14-29)30(16-18-7-3-2-4-8-18)20-11-9-19(10-12-20)24(25,26)27/h2-4,7-12,15,17H,5-6,13-14,16H2,1H3.
What are the key properties of [4-[N-benzyl-4-(trifluoromethyl)anilino]-1-methylpyrrol-2-yl]-pyrrolidin-1-ylmethanone?
[4-[N-benzyl-4-(trifluoromethyl)anilino]-1-methylpyrrol-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 427.47 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[N-benzyl-4-(trifluoromethyl)anilino]-1-methylpyrrol-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 44568460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).