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4-chloro-1-(2-methoxyethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide

C20H18ClF3N2O2 — CID 121393511

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-chloro-1-(2-methoxyethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide
SMILESCOCCn1cc(C(=O)NCc2ccc(C(F)(F)F)cc2)c2c(Cl)cccc21
InChIInChI=1S/C20H18ClF3N2O2/c1-28-10-9-26-12-15(18-16(21)3-2-4-17(18)26)19(27)25-11-13-5-7-14(8-6-13)20(22,23)24/h2-8,12H,9-11H2,1H3,(H,25,27)
InChIKeyDRDCSFDDQJVHJK-UHFFFAOYSA-N
MW410.82 g/mol
LogP4.89
Rot. Bonds6

About 4-chloro-1-(2-methoxyethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide

4-chloro-1-(2-methoxyethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide (PubChem CID 121393511) has the molecular formula C20H18ClF3N2O2 and a molecular weight of 410.82 g/mol. Its IUPAC name is 4-chloro-1-(2-methoxyethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-(2-methoxyethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide
PubChem CID121393511
Molecular FormulaC20H18ClF3N2O2
Molecular Weight410.82 g/mol
Exact Mass410.10
IUPAC Name4-chloro-1-(2-methoxyethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide
SMILESCOCCn1cc(C(=O)NCc2ccc(C(F)(F)F)cc2)c2c(Cl)cccc21
InChIInChI=1S/C20H18ClF3N2O2/c1-28-10-9-26-12-15(18-16(21)3-2-4-17(18)26)19(27)25-11-13-5-7-14(8-6-13)20(22,23)24/h2-8,12H,9-11H2,1H3,(H,25,27)
InChIKeyDRDCSFDDQJVHJK-UHFFFAOYSA-N
XLogP4.89
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.82
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-methoxyethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide?
The IUPAC name of 4-chloro-1-(2-methoxyethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide (CID 121393511) is 4-chloro-1-(2-methoxyethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-(2-methoxyethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide?
The canonical SMILES for 4-chloro-1-(2-methoxyethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide is COCCn1cc(C(=O)NCc2ccc(C(F)(F)F)cc2)c2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-(2-methoxyethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide?
The InChIKey is DRDCSFDDQJVHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N2O2/c1-28-10-9-26-12-15(18-16(21)3-2-4-17(18)26)19(27)25-11-13-5-7-14(8-6-13)20(22,23)24/h2-8,12H,9-11H2,1H3,(H,25,27).
What are the key properties of 4-chloro-1-(2-methoxyethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide?
4-chloro-1-(2-methoxyethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide has a molecular weight of 410.82 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-methoxyethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide is sourced from PubChem (CID 121393511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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