2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C14H20F3N3O — CID 79099748

IUPAC2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCNC(c1ccn(CC(=O)NCC(F)(F)F)c1)C1CC1
InChIInChI=1S/C14H20F3N3O/c1-2-18-13(10-3-4-10)11-5-6-20(7-11)8-12(21)19-9-14(15,16)17/h5-7,10,13,18H,2-4,8-9H2,1H3,(H,19,21)
InChIKeyNHNQGULONRGAHL-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.23
Rot. Bonds7

About 2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 79099748) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID79099748
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCNC(c1ccn(CC(=O)NCC(F)(F)F)c1)C1CC1
InChIInChI=1S/C14H20F3N3O/c1-2-18-13(10-3-4-10)11-5-6-20(7-11)8-12(21)19-9-14(15,16)17/h5-7,10,13,18H,2-4,8-9H2,1H3,(H,19,21)
InChIKeyNHNQGULONRGAHL-UHFFFAOYSA-N
XLogP2.23
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 79099748) is 2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CCNC(c1ccn(CC(=O)NCC(F)(F)F)c1)C1CC1.
What is the InChIKey of 2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NHNQGULONRGAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-2-18-13(10-3-4-10)11-5-6-20(7-11)8-12(21)19-9-14(15,16)17/h5-7,10,13,18H,2-4,8-9H2,1H3,(H,19,21).
What are the key properties of 2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 303.33 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 79099748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).