2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide

C17H18F3N3O — CID 4787986

IUPAC2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCn1cccc1C1CCCN1CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H18F3N3O/c1-22-8-2-4-13(22)14-5-3-9-23(14)10-15(24)21-12-7-6-11(18)16(19)17(12)20/h2,4,6-8,14H,3,5,9-10H2,1H3,(H,21,24)
InChIKeyASXUZRCCXRMDFH-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.22
Rot. Bonds4

About 2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide

2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 4787986) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is 2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID4787986
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCn1cccc1C1CCCN1CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H18F3N3O/c1-22-8-2-4-13(22)14-5-3-9-23(14)10-15(24)21-12-7-6-11(18)16(19)17(12)20/h2,4,6-8,14H,3,5,9-10H2,1H3,(H,21,24)
InChIKeyASXUZRCCXRMDFH-UHFFFAOYSA-N
XLogP3.22
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide (CID 4787986) is 2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide is Cn1cccc1C1CCCN1CC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is ASXUZRCCXRMDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-22-8-2-4-13(22)14-5-3-9-23(14)10-15(24)21-12-7-6-11(18)16(19)17(12)20/h2,4,6-8,14H,3,5,9-10H2,1H3,(H,21,24).
What are the key properties of 2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide?
2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 337.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 4787986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).