3-(2-formylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide

C23H15F3N2O3 — CID 25109397

IUPAC3-(2-formylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide
SMILESO=Cc1ccccc1-c1cn(C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C23H15F3N2O3/c24-23(25,26)31-17-11-9-16(10-12-17)27-22(30)28-13-20(19-7-3-4-8-21(19)28)18-6-2-1-5-15(18)14-29/h1-14H,(H,27,30)
InChIKeyRLDQUASAJBPJFJ-UHFFFAOYSA-N
MW424.38 g/mol
LogP6.10
Rot. Bonds4

About 3-(2-formylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide

3-(2-formylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide (PubChem CID 25109397) has the molecular formula C23H15F3N2O3 and a molecular weight of 424.38 g/mol. Its IUPAC name is 3-(2-formylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide.

Molecular Properties

Compound Name3-(2-formylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide
PubChem CID25109397
Molecular FormulaC23H15F3N2O3
Molecular Weight424.38 g/mol
Exact Mass424.10
IUPAC Name3-(2-formylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide
SMILESO=Cc1ccccc1-c1cn(C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C23H15F3N2O3/c24-23(25,26)31-17-11-9-16(10-12-17)27-22(30)28-13-20(19-7-3-4-8-21(19)28)18-6-2-1-5-15(18)14-29/h1-14H,(H,27,30)
InChIKeyRLDQUASAJBPJFJ-UHFFFAOYSA-N
XLogP6.10
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.38
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-formylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide?
The IUPAC name of 3-(2-formylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide (CID 25109397) is 3-(2-formylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide.
What is the SMILES notation for 3-(2-formylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide?
The canonical SMILES for 3-(2-formylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide is O=Cc1ccccc1-c1cn(C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc12.
What is the InChIKey of 3-(2-formylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide?
The InChIKey is RLDQUASAJBPJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N2O3/c24-23(25,26)31-17-11-9-16(10-12-17)27-22(30)28-13-20(19-7-3-4-8-21(19)28)18-6-2-1-5-15(18)14-29/h1-14H,(H,27,30).
What are the key properties of 3-(2-formylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide?
3-(2-formylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide has a molecular weight of 424.38 g/mol, XLogP of 6.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-formylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide is sourced from PubChem (CID 25109397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).