N-benzyl-3-(5-methoxy-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide

C26H23F3N2O2 — CID 83284963

IUPACN-benzyl-3-(5-methoxy-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc2[nH]cc(C(CC(=O)NCc3ccccc3)c3cccc(C(F)(F)F)c3)c2c1
InChIInChI=1S/C26H23F3N2O2/c1-33-20-10-11-24-22(13-20)23(16-30-24)21(18-8-5-9-19(12-18)26(27,28)29)14-25(32)31-15-17-6-3-2-4-7-17/h2-13,16,21,30H,14-15H2,1H3,(H,31,32)
InChIKeyFAZRUGJFUUHZKT-UHFFFAOYSA-N
MW452.48 g/mol
LogP6.03
Rot. Bonds7

About N-benzyl-3-(5-methoxy-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide

N-benzyl-3-(5-methoxy-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 83284963) has the molecular formula C26H23F3N2O2 and a molecular weight of 452.48 g/mol. Its IUPAC name is N-benzyl-3-(5-methoxy-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-benzyl-3-(5-methoxy-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID83284963
Molecular FormulaC26H23F3N2O2
Molecular Weight452.48 g/mol
Exact Mass452.17
IUPAC NameN-benzyl-3-(5-methoxy-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc2[nH]cc(C(CC(=O)NCc3ccccc3)c3cccc(C(F)(F)F)c3)c2c1
InChIInChI=1S/C26H23F3N2O2/c1-33-20-10-11-24-22(13-20)23(16-30-24)21(18-8-5-9-19(12-18)26(27,28)29)14-25(32)31-15-17-6-3-2-4-7-17/h2-13,16,21,30H,14-15H2,1H3,(H,31,32)
InChIKeyFAZRUGJFUUHZKT-UHFFFAOYSA-N
XLogP6.03
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.48
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-methoxy-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 91635014
(3S)-N-benzyl-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 93299390
2-(5-methoxy-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 75365778
2-[(5-methoxy-1H-indol-3-yl)methylamino]-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 70356145
methyl 2-(5-methoxy-1H-indol-3-yl)-2-[N-methyl-3-(trifluoromethyl)anilino]acetate
CID 19796739
(3S)-3-(1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 93122152
3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 42802261
(3R)-3-(1,3-benzodioxol-4-yl)-3-(1H-indol-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 93122656
N-benzyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 113208378
N-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanamide
CID 46131344
3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-1-phenylpropan-1-one
CID 102170720
3-(5-methoxy-1H-indol-3-yl)-N-(2-methylpropyl)-5-phenylpentanamide
CID 83280081

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(5-methoxy-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-benzyl-3-(5-methoxy-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide (CID 83284963) is N-benzyl-3-(5-methoxy-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-benzyl-3-(5-methoxy-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-benzyl-3-(5-methoxy-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide is COc1ccc2[nH]cc(C(CC(=O)NCc3ccccc3)c3cccc(C(F)(F)F)c3)c2c1.
What is the InChIKey of N-benzyl-3-(5-methoxy-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is FAZRUGJFUUHZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N2O2/c1-33-20-10-11-24-22(13-20)23(16-30-24)21(18-8-5-9-19(12-18)26(27,28)29)14-25(32)31-15-17-6-3-2-4-7-17/h2-13,16,21,30H,14-15H2,1H3,(H,31,32).
What are the key properties of N-benzyl-3-(5-methoxy-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide?
N-benzyl-3-(5-methoxy-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 452.48 g/mol, XLogP of 6.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(5-methoxy-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 83284963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).