2-methyl-1-(3-morpholin-4-ylpropyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide

C20H24F3N3O2 — CID 71465913

IUPAC2-methyl-1-(3-morpholin-4-ylpropyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
SMILESCc1c(C(=O)Nc2cccc(C(F)(F)F)c2)ccn1CCCN1CCOCC1
InChIInChI=1S/C20H24F3N3O2/c1-15-18(6-9-26(15)8-3-7-25-10-12-28-13-11-25)19(27)24-17-5-2-4-16(14-17)20(21,22)23/h2,4-6,9,14H,3,7-8,10-13H2,1H3,(H,24,27)
InChIKeyQQDGNGDGTFIHID-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.79
Rot. Bonds6

About 2-methyl-1-(3-morpholin-4-ylpropyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide

2-methyl-1-(3-morpholin-4-ylpropyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide (PubChem CID 71465913) has the molecular formula C20H24F3N3O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is 2-methyl-1-(3-morpholin-4-ylpropyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-1-(3-morpholin-4-ylpropyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
PubChem CID71465913
Molecular FormulaC20H24F3N3O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC Name2-methyl-1-(3-morpholin-4-ylpropyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
SMILESCc1c(C(=O)Nc2cccc(C(F)(F)F)c2)ccn1CCCN1CCOCC1
InChIInChI=1S/C20H24F3N3O2/c1-15-18(6-9-26(15)8-3-7-25-10-12-28-13-11-25)19(27)24-17-5-2-4-16(14-17)20(21,22)23/h2,4-6,9,14H,3,7-8,10-13H2,1H3,(H,24,27)
InChIKeyQQDGNGDGTFIHID-UHFFFAOYSA-N
XLogP3.79
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-morpholin-4-ylpropyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The IUPAC name of 2-methyl-1-(3-morpholin-4-ylpropyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide (CID 71465913) is 2-methyl-1-(3-morpholin-4-ylpropyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-1-(3-morpholin-4-ylpropyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-1-(3-morpholin-4-ylpropyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide is Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)ccn1CCCN1CCOCC1.
What is the InChIKey of 2-methyl-1-(3-morpholin-4-ylpropyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The InChIKey is QQDGNGDGTFIHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O2/c1-15-18(6-9-26(15)8-3-7-25-10-12-28-13-11-25)19(27)24-17-5-2-4-16(14-17)20(21,22)23/h2,4-6,9,14H,3,7-8,10-13H2,1H3,(H,24,27).
What are the key properties of 2-methyl-1-(3-morpholin-4-ylpropyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
2-methyl-1-(3-morpholin-4-ylpropyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-morpholin-4-ylpropyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide is sourced from PubChem (CID 71465913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).