5-cyano-N-(3-methoxypropyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide

C22H20F3N3O3 — CID 59205431

IUPAC5-cyano-N-(3-methoxypropyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide
SMILESCOCCCNC(=O)c1cc2cc(C#N)ccc2n1Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C22H20F3N3O3/c1-30-9-3-8-27-21(29)20-12-17-10-15(13-26)6-7-19(17)28(20)14-16-4-2-5-18(11-16)31-22(23,24)25/h2,4-7,10-12H,3,8-9,14H2,1H3,(H,27,29)
InChIKeySDCZHZZDIKPNHL-UHFFFAOYSA-N
MW431.41 g/mol
LogP4.23
Rot. Bonds8

About 5-cyano-N-(3-methoxypropyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide

5-cyano-N-(3-methoxypropyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide (PubChem CID 59205431) has the molecular formula C22H20F3N3O3 and a molecular weight of 431.41 g/mol. Its IUPAC name is 5-cyano-N-(3-methoxypropyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(3-methoxypropyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide
PubChem CID59205431
Molecular FormulaC22H20F3N3O3
Molecular Weight431.41 g/mol
Exact Mass431.15
IUPAC Name5-cyano-N-(3-methoxypropyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide
SMILESCOCCCNC(=O)c1cc2cc(C#N)ccc2n1Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C22H20F3N3O3/c1-30-9-3-8-27-21(29)20-12-17-10-15(13-26)6-7-19(17)28(20)14-16-4-2-5-18(11-16)31-22(23,24)25/h2,4-7,10-12H,3,8-9,14H2,1H3,(H,27,29)
InChIKeySDCZHZZDIKPNHL-UHFFFAOYSA-N
XLogP4.23
TPSA76.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-cyano-N-(3-methoxypropyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-[(1-hydroxycyclopentyl)methyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide
CID 89319607
5-cyano-N-(3-hydroxy-2,2-dimethylpropyl)-1-[[2-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide
CID 59205451
5-amino-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide
CID 89319443
[4-[[[5-chloro-1-[(3-cyanophenyl)methyl]indole-2-carbonyl]amino]methyl]phenyl]-trimethylazanium;2,2,2-trifluoroacetate
CID 11734499
5-cyano-1-[(3,5-dimethoxyphenyl)methyl]-N-[(2-hydroxycyclohexyl)methyl]indole-2-carboxamide
CID 72530834
[4-[[[1-[(3-cyanophenyl)methyl]-5-fluoroindole-2-carbonyl]amino]methyl]phenyl]-ethyl-dimethylazanium
CID 11734475
[4-[[[1-[(3-cyanophenyl)methyl]-5-fluoroindole-2-carbonyl]amino]methyl]phenyl]-ethyl-dimethylazanium iodide
CID 18327657
5-amino-1-[(3-cyanophenyl)methyl]-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 54425705
1-[(3-cyanophenyl)methyl]-4-methoxy-N-[2-(1-methylpyridin-1-ium-4-yl)ethyl]indole-2-carboxamide;2,2,2-trifluoroacetate
CID 11103488
5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide
CID 83287983
5-(furan-2-carbonylamino)-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide
CID 83276291
1-[(3-cyanophenyl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-4-methoxyindole-2-carboxamide
CID 10906011

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(3-methoxypropyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide?
The IUPAC name of 5-cyano-N-(3-methoxypropyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide (CID 59205431) is 5-cyano-N-(3-methoxypropyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(3-methoxypropyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide?
The canonical SMILES for 5-cyano-N-(3-methoxypropyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide is COCCCNC(=O)c1cc2cc(C#N)ccc2n1Cc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 5-cyano-N-(3-methoxypropyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide?
The InChIKey is SDCZHZZDIKPNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O3/c1-30-9-3-8-27-21(29)20-12-17-10-15(13-26)6-7-19(17)28(20)14-16-4-2-5-18(11-16)31-22(23,24)25/h2,4-7,10-12H,3,8-9,14H2,1H3,(H,27,29).
What are the key properties of 5-cyano-N-(3-methoxypropyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide?
5-cyano-N-(3-methoxypropyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide has a molecular weight of 431.41 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(3-methoxypropyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide is sourced from PubChem (CID 59205431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).