N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide

C23H27F3N4O2 — CID 24664903

IUPACN-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide
SMILESCc1c(C#N)c(NC(=O)CN(C)Cc2ccccc2C(F)(F)F)n(CC2CCCO2)c1C
InChIInChI=1S/C23H27F3N4O2/c1-15-16(2)30(13-18-8-6-10-32-18)22(19(15)11-27)28-21(31)14-29(3)12-17-7-4-5-9-20(17)23(24,25)26/h4-5,7,9,18H,6,8,10,12-14H2,1-3H3,(H,28,31)
InChIKeyRRNIIEOGZNPVDF-UHFFFAOYSA-N
MW448.49 g/mol
LogP4.24
Rot. Bonds7

About N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide

N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide (PubChem CID 24664903) has the molecular formula C23H27F3N4O2 and a molecular weight of 448.49 g/mol. Its IUPAC name is N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide
PubChem CID24664903
Molecular FormulaC23H27F3N4O2
Molecular Weight448.49 g/mol
Exact Mass448.21
IUPAC NameN-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide
SMILESCc1c(C#N)c(NC(=O)CN(C)Cc2ccccc2C(F)(F)F)n(CC2CCCO2)c1C
InChIInChI=1S/C23H27F3N4O2/c1-15-16(2)30(13-18-8-6-10-32-18)22(19(15)11-27)28-21(31)14-29(3)12-17-7-4-5-9-20(17)23(24,25)26/h4-5,7,9,18H,6,8,10,12-14H2,1-3H3,(H,28,31)
InChIKeyRRNIIEOGZNPVDF-UHFFFAOYSA-N
XLogP4.24
TPSA70.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The IUPAC name of N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide (CID 24664903) is N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide.
What is the SMILES notation for N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The canonical SMILES for N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide is Cc1c(C#N)c(NC(=O)CN(C)Cc2ccccc2C(F)(F)F)n(CC2CCCO2)c1C.
What is the InChIKey of N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The InChIKey is RRNIIEOGZNPVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O2/c1-15-16(2)30(13-18-8-6-10-32-18)22(19(15)11-27)28-21(31)14-29(3)12-17-7-4-5-9-20(17)23(24,25)26/h4-5,7,9,18H,6,8,10,12-14H2,1-3H3,(H,28,31).
What are the key properties of N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide?
N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide has a molecular weight of 448.49 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide is sourced from PubChem (CID 24664903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).