N-ethyl-4-pyrrol-1-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide

C16H24F3N3O — CID 167911838

IUPACN-ethyl-4-pyrrol-1-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide
SMILESCCN(C(=O)CCCn1cccc1)C1CCN(CC(F)(F)F)C1
InChIInChI=1S/C16H24F3N3O/c1-2-22(14-7-11-21(12-14)13-16(17,18)19)15(23)6-5-10-20-8-3-4-9-20/h3-4,8-9,14H,2,5-7,10-13H2,1H3
InChIKeyLJAKWIZUEZWTQH-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.75
Rot. Bonds7

About N-ethyl-4-pyrrol-1-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide

N-ethyl-4-pyrrol-1-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide (PubChem CID 167911838) has the molecular formula C16H24F3N3O and a molecular weight of 331.38 g/mol. Its IUPAC name is N-ethyl-4-pyrrol-1-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide.

Molecular Properties

Compound NameN-ethyl-4-pyrrol-1-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide
PubChem CID167911838
Molecular FormulaC16H24F3N3O
Molecular Weight331.38 g/mol
Exact Mass331.19
IUPAC NameN-ethyl-4-pyrrol-1-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide
SMILESCCN(C(=O)CCCn1cccc1)C1CCN(CC(F)(F)F)C1
InChIInChI=1S/C16H24F3N3O/c1-2-22(14-7-11-21(12-14)13-16(17,18)19)15(23)6-5-10-20-8-3-4-9-20/h3-4,8-9,14H,2,5-7,10-13H2,1H3
InChIKeyLJAKWIZUEZWTQH-UHFFFAOYSA-N
XLogP2.75
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-pyrrol-1-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide?
The IUPAC name of N-ethyl-4-pyrrol-1-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide (CID 167911838) is N-ethyl-4-pyrrol-1-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide.
What is the SMILES notation for N-ethyl-4-pyrrol-1-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide?
The canonical SMILES for N-ethyl-4-pyrrol-1-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide is CCN(C(=O)CCCn1cccc1)C1CCN(CC(F)(F)F)C1.
What is the InChIKey of N-ethyl-4-pyrrol-1-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide?
The InChIKey is LJAKWIZUEZWTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O/c1-2-22(14-7-11-21(12-14)13-16(17,18)19)15(23)6-5-10-20-8-3-4-9-20/h3-4,8-9,14H,2,5-7,10-13H2,1H3.
What are the key properties of N-ethyl-4-pyrrol-1-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide?
N-ethyl-4-pyrrol-1-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide has a molecular weight of 331.38 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-pyrrol-1-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide is sourced from PubChem (CID 167911838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).