3-(5-chloro-1H-indol-3-yl)-N-[3-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]propyl]propanamide

C24H23ClF3N3O2 — CID 71816540

IUPAC3-(5-chloro-1H-indol-3-yl)-N-[3-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]propyl]propanamide
SMILESCc1[nH]c2ccc(OC(F)(F)F)cc2c1CCCNC(=O)CCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C24H23ClF3N3O2/c1-14-18(20-12-17(33-24(26,27)28)6-8-22(20)31-14)3-2-10-29-23(32)9-4-15-13-30-21-7-5-16(25)11-19(15)21/h5-8,11-13,30-31H,2-4,9-10H2,1H3,(H,29,32)
InChIKeyOLLZIBKCXFHLLE-UHFFFAOYSA-N
MW477.91 g/mol
LogP6.19
Rot. Bonds8

About 3-(5-chloro-1H-indol-3-yl)-N-[3-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]propyl]propanamide

3-(5-chloro-1H-indol-3-yl)-N-[3-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]propyl]propanamide (PubChem CID 71816540) has the molecular formula C24H23ClF3N3O2 and a molecular weight of 477.91 g/mol. Its IUPAC name is 3-(5-chloro-1H-indol-3-yl)-N-[3-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]propyl]propanamide.

Molecular Properties

Compound Name3-(5-chloro-1H-indol-3-yl)-N-[3-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]propyl]propanamide
PubChem CID71816540
Molecular FormulaC24H23ClF3N3O2
Molecular Weight477.91 g/mol
Exact Mass477.14
IUPAC Name3-(5-chloro-1H-indol-3-yl)-N-[3-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]propyl]propanamide
SMILESCc1[nH]c2ccc(OC(F)(F)F)cc2c1CCCNC(=O)CCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C24H23ClF3N3O2/c1-14-18(20-12-17(33-24(26,27)28)6-8-22(20)31-14)3-2-10-29-23(32)9-4-15-13-30-21-7-5-16(25)11-19(15)21/h5-8,11-13,30-31H,2-4,9-10H2,1H3,(H,29,32)
InChIKeyOLLZIBKCXFHLLE-UHFFFAOYSA-N
XLogP6.19
TPSA69.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.91
LogP ≤ 56.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113086017
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 4974066
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide
CID 124607872
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 113085985
N-[2-(1H-indol-3-yl)ethyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212129
3-(1H-indol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide
CID 6736716
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-methylsulfanylacetamide
CID 91833579
N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]thiophene-2-carboxamide
CID 617829
4-chloro-1-methyl-N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrazole-5-carboxamide
CID 615130
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
CID 26652
2-(4-chlorophenyl)-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 113085910
N-(3-acetamidopropyl)-2-(5-chloro-1H-indol-3-yl)acetamide
CID 110630730

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1H-indol-3-yl)-N-[3-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]propyl]propanamide?
The IUPAC name of 3-(5-chloro-1H-indol-3-yl)-N-[3-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]propyl]propanamide (CID 71816540) is 3-(5-chloro-1H-indol-3-yl)-N-[3-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]propyl]propanamide.
What is the SMILES notation for 3-(5-chloro-1H-indol-3-yl)-N-[3-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]propyl]propanamide?
The canonical SMILES for 3-(5-chloro-1H-indol-3-yl)-N-[3-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]propyl]propanamide is Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCCNC(=O)CCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 3-(5-chloro-1H-indol-3-yl)-N-[3-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]propyl]propanamide?
The InChIKey is OLLZIBKCXFHLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF3N3O2/c1-14-18(20-12-17(33-24(26,27)28)6-8-22(20)31-14)3-2-10-29-23(32)9-4-15-13-30-21-7-5-16(25)11-19(15)21/h5-8,11-13,30-31H,2-4,9-10H2,1H3,(H,29,32).
What are the key properties of 3-(5-chloro-1H-indol-3-yl)-N-[3-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]propyl]propanamide?
3-(5-chloro-1H-indol-3-yl)-N-[3-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]propyl]propanamide has a molecular weight of 477.91 g/mol, XLogP of 6.19, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1H-indol-3-yl)-N-[3-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]propyl]propanamide is sourced from PubChem (CID 71816540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).