N-[(4-tert-butylphenyl)methyl]-2-methyl-N-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-indole-7-carboxamide

C30H31F3N2O2 — CID 91616648

About N-[(4-tert-butylphenyl)methyl]-2-methyl-N-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-indole-7-carboxamide

N-[(4-tert-butylphenyl)methyl]-2-methyl-N-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-indole-7-carboxamide (PubChem CID 91616648) has the molecular formula C30H31F3N2O2 and a molecular weight of 508.58 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-2-methyl-N-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-indole-7-carboxamide.

Molecular Properties

• Compound Name: N-[(4-tert-butylphenyl)methyl]-2-methyl-N-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-indole-7-carboxamide
• PubChem CID: 91616648
• Molecular Formula: C30H31F3N2O2
• Molecular Weight: 508.58 g/mol
• Exact Mass: 508.23
• IUPAC Name: N-[(4-tert-butylphenyl)methyl]-2-methyl-N-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-indole-7-carboxamide
• SMILES: Cc1cc2cccc(C(=O)N(CCc3cccc(OC(F)(F)F)c3)Cc3ccc(C(C)(C)C)cc3)c2[nH]1
• InChI: InChI=1S/C30H31F3N2O2/c1-20-17-23-8-6-10-26(27(23)34-20)28(36)35(19-22-11-13-24(14-12-22)29(2,3)4)16-15-21-7-5-9-25(18-21)37-30(31,32)33/h5-14,17-18,34H,15-16,19H2,1-4H3
• InChIKey: FNCZLOBEXLJQRJ-UHFFFAOYSA-N
• XLogP: 7.56
• TPSA: 45.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.58
LogP ≤ 5	7.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-methyl-N-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-indole-7-carboxamide?

The IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-methyl-N-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-indole-7-carboxamide (CID 91616648) is N-[(4-tert-butylphenyl)methyl]-2-methyl-N-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-indole-7-carboxamide.

What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-2-methyl-N-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-indole-7-carboxamide?

The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-2-methyl-N-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-indole-7-carboxamide is Cc1cc2cccc(C(=O)N(CCc3cccc(OC(F)(F)F)c3)Cc3ccc(C(C)(C)C)cc3)c2[nH]1.

What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-2-methyl-N-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-indole-7-carboxamide?

The InChIKey is FNCZLOBEXLJQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F3N2O2/c1-20-17-23-8-6-10-26(27(23)34-20)28(36)35(19-22-11-13-24(14-12-22)29(2,3)4)16-15-21-7-5-9-25(18-21)37-30(31,32)33/h5-14,17-18,34H,15-16,19H2,1-4H3.

What are the key properties of N-[(4-tert-butylphenyl)methyl]-2-methyl-N-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-indole-7-carboxamide?

N-[(4-tert-butylphenyl)methyl]-2-methyl-N-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-indole-7-carboxamide has a molecular weight of 508.58 g/mol, XLogP of 7.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-tert-butylphenyl)methyl]-2-methyl-N-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 91616648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).