4-prop-2-enoxy-N-(2-pyridin-2-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide

C27H24F3N3O2 — CID 42667040

IUPAC4-prop-2-enoxy-N-(2-pyridin-2-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide
SMILESC=CCOc1cccc2c1cc(C(=O)NCCc1ccccn1)n2Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H24F3N3O2/c1-2-16-35-25-8-5-7-23-22(25)17-24(26(34)32-15-13-21-6-3-4-14-31-21)33(23)18-19-9-11-20(12-10-19)27(28,29)30/h2-12,14,17H,1,13,15-16,18H2,(H,32,34)
InChIKeyVKEGGXGFZMHYGO-UHFFFAOYSA-N
MW479.50 g/mol
LogP5.64
Rot. Bonds9

About 4-prop-2-enoxy-N-(2-pyridin-2-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide

4-prop-2-enoxy-N-(2-pyridin-2-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide (PubChem CID 42667040) has the molecular formula C27H24F3N3O2 and a molecular weight of 479.50 g/mol. Its IUPAC name is 4-prop-2-enoxy-N-(2-pyridin-2-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide.

Molecular Properties

Compound Name4-prop-2-enoxy-N-(2-pyridin-2-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide
PubChem CID42667040
Molecular FormulaC27H24F3N3O2
Molecular Weight479.50 g/mol
Exact Mass479.18
IUPAC Name4-prop-2-enoxy-N-(2-pyridin-2-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide
SMILESC=CCOc1cccc2c1cc(C(=O)NCCc1ccccn1)n2Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H24F3N3O2/c1-2-16-35-25-8-5-7-23-22(25)17-24(26(34)32-15-13-21-6-3-4-14-31-21)33(23)18-19-9-11-20(12-10-19)27(28,29)30/h2-12,14,17H,1,13,15-16,18H2,(H,32,34)
InChIKeyVKEGGXGFZMHYGO-UHFFFAOYSA-N
XLogP5.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.50
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-prop-2-enoxy-N-(2-pyridin-2-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide with MolForge

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Related Compounds

N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42667137
1-[(3,4-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42807293
N-tert-butyl-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42667127
1-[(2,4-difluorophenyl)methyl]-4-prop-2-enoxy-N-propylindole-2-carboxamide
CID 42805833
N-butyl-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42667169
4-benzyl-2-methyl-N-(2-pyridin-2-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46039425
N-[(2R)-butan-2-yl]-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 93127425
N-[(2S)-butan-2-yl]-1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 93127426
3-bromo-4-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46040322
1-(2-methoxyethyl)-4-phenylmethoxy-N-(pyridin-2-ylmethyl)indole-2-carboxamide
CID 42667450
4-[(3-fluorophenyl)methyl]-3,5-dioxo-N-(2-pyridin-2-ylethyl)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxamide
CID 46005389
3-(1-benzylindol-3-yl)-N-(2-pyridin-2-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 90488623

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enoxy-N-(2-pyridin-2-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide?
The IUPAC name of 4-prop-2-enoxy-N-(2-pyridin-2-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide (CID 42667040) is 4-prop-2-enoxy-N-(2-pyridin-2-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide.
What is the SMILES notation for 4-prop-2-enoxy-N-(2-pyridin-2-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide?
The canonical SMILES for 4-prop-2-enoxy-N-(2-pyridin-2-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide is C=CCOc1cccc2c1cc(C(=O)NCCc1ccccn1)n2Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-prop-2-enoxy-N-(2-pyridin-2-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide?
The InChIKey is VKEGGXGFZMHYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N3O2/c1-2-16-35-25-8-5-7-23-22(25)17-24(26(34)32-15-13-21-6-3-4-14-31-21)33(23)18-19-9-11-20(12-10-19)27(28,29)30/h2-12,14,17H,1,13,15-16,18H2,(H,32,34).
What are the key properties of 4-prop-2-enoxy-N-(2-pyridin-2-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide?
4-prop-2-enoxy-N-(2-pyridin-2-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide has a molecular weight of 479.50 g/mol, XLogP of 5.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoxy-N-(2-pyridin-2-ylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide is sourced from PubChem (CID 42667040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).