2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone

C20H22F3N3O3 — CID 55571580

IUPAC2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
SMILESCN(CC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H22F3N3O3/c1-25(12-14-4-6-16(7-5-14)29-20(21,22)23)13-18(27)15-10-17(24-11-15)19(28)26-8-2-3-9-26/h4-7,10-11,24H,2-3,8-9,12-13H2,1H3
InChIKeyUYBPOHMUVWLADI-UHFFFAOYSA-N
MW409.41 g/mol
LogP3.46
Rot. Bonds7

About 2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone

2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone (PubChem CID 55571580) has the molecular formula C20H22F3N3O3 and a molecular weight of 409.41 g/mol. Its IUPAC name is 2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
PubChem CID55571580
Molecular FormulaC20H22F3N3O3
Molecular Weight409.41 g/mol
Exact Mass409.16
IUPAC Name2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
SMILESCN(CC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H22F3N3O3/c1-25(12-14-4-6-16(7-5-14)29-20(21,22)23)13-18(27)15-10-17(24-11-15)19(28)26-8-2-3-9-26/h4-7,10-11,24H,2-3,8-9,12-13H2,1H3
InChIKeyUYBPOHMUVWLADI-UHFFFAOYSA-N
XLogP3.46
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-[methyl-[(4-methylphenyl)methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 26303124
2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 24664906
ethyl 2-[(4-fluorophenyl)methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetate
CID 56526118
4-acetyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 38545760
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 24682261
methyl 2-[(3,5-dimethoxyphenyl)methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetate
CID 56526064
2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 33202815
2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 17391845
2-[4-(4-acetyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 24616434
N-cyclopropyl-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]acetamide
CID 51076389
N-(5-bromo-2-pyridinyl)-2-[methyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]acetamide
CID 56549624
1-[5-(azocane-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 51073647

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
The IUPAC name of 2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone (CID 55571580) is 2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone.
What is the SMILES notation for 2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
The canonical SMILES for 2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone is CN(CC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
The InChIKey is UYBPOHMUVWLADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3/c1-25(12-14-4-6-16(7-5-14)29-20(21,22)23)13-18(27)15-10-17(24-11-15)19(28)26-8-2-3-9-26/h4-7,10-11,24H,2-3,8-9,12-13H2,1H3.
What are the key properties of 2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone has a molecular weight of 409.41 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 55571580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).