5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethyl-3-methylindole-2-carboxamide

C19H15Cl2F3N2O — CID 110502078

IUPAC5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethyl-3-methylindole-2-carboxamide
SMILESCCn1c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)c2cc(Cl)ccc21
InChIInChI=1S/C19H15Cl2F3N2O/c1-3-26-16-7-4-11(20)8-13(16)10(2)17(26)18(27)25-12-5-6-15(21)14(9-12)19(22,23)24/h4-9H,3H2,1-2H3,(H,25,27)
InChIKeyWPICUXXSHCZAHT-UHFFFAOYSA-N
MW415.24 g/mol
LogP6.55
Rot. Bonds3

About 5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethyl-3-methylindole-2-carboxamide

5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethyl-3-methylindole-2-carboxamide (PubChem CID 110502078) has the molecular formula C19H15Cl2F3N2O and a molecular weight of 415.24 g/mol. Its IUPAC name is 5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethyl-3-methylindole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethyl-3-methylindole-2-carboxamide
PubChem CID110502078
Molecular FormulaC19H15Cl2F3N2O
Molecular Weight415.24 g/mol
Exact Mass414.05
IUPAC Name5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethyl-3-methylindole-2-carboxamide
SMILESCCn1c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)c2cc(Cl)ccc21
InChIInChI=1S/C19H15Cl2F3N2O/c1-3-26-16-7-4-11(20)8-13(16)10(2)17(26)18(27)25-12-5-6-15(21)14(9-12)19(22,23)24/h4-9H,3H2,1-2H3,(H,25,27)
InChIKeyWPICUXXSHCZAHT-UHFFFAOYSA-N
XLogP6.55
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.24
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(3-chloro-4-methylphenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110502138
N-(4-chloro-2-methylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501629
5-chloro-N-(2-chloro-3-pyridinyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110502209
5-chloro-1-ethyl-3-methyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 110497698
N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110501443
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110863765
5-chloro-N-[4-(diethylamino)butyl]-1-ethyl-3-methylindole-2-carboxamide
CID 110497733
N'-(4-chloro-2-methylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108515804
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethylpyrazole-4-carboxamide
CID 35295297
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide
CID 17168215
1-(5-chloro-2-methylphenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 98000868
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-2H-triazole-4-carboxamide
CID 110691808

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethyl-3-methylindole-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethyl-3-methylindole-2-carboxamide (CID 110502078) is 5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethyl-3-methylindole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethyl-3-methylindole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethyl-3-methylindole-2-carboxamide is CCn1c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethyl-3-methylindole-2-carboxamide?
The InChIKey is WPICUXXSHCZAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2F3N2O/c1-3-26-16-7-4-11(20)8-13(16)10(2)17(26)18(27)25-12-5-6-15(21)14(9-12)19(22,23)24/h4-9H,3H2,1-2H3,(H,25,27).
What are the key properties of 5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethyl-3-methylindole-2-carboxamide?
5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethyl-3-methylindole-2-carboxamide has a molecular weight of 415.24 g/mol, XLogP of 6.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethyl-3-methylindole-2-carboxamide is sourced from PubChem (CID 110502078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).