3-(2-ethylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide

C24H19F3N2O2 — CID 59804527

IUPAC3-(2-ethylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide
SMILESCCc1ccccc1-c1cn(C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C24H19F3N2O2/c1-2-16-7-3-4-8-19(16)21-15-29(22-10-6-5-9-20(21)22)23(30)28-17-11-13-18(14-12-17)31-24(25,26)27/h3-15H,2H2,1H3,(H,28,30)
InChIKeyCWJJUZHDWFBANH-UHFFFAOYSA-N
MW424.42 g/mol
LogP6.85
Rot. Bonds4

About 3-(2-ethylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide

3-(2-ethylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide (PubChem CID 59804527) has the molecular formula C24H19F3N2O2 and a molecular weight of 424.42 g/mol. Its IUPAC name is 3-(2-ethylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide.

Molecular Properties

Compound Name3-(2-ethylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide
PubChem CID59804527
Molecular FormulaC24H19F3N2O2
Molecular Weight424.42 g/mol
Exact Mass424.14
IUPAC Name3-(2-ethylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide
SMILESCCc1ccccc1-c1cn(C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C24H19F3N2O2/c1-2-16-7-3-4-8-19(16)21-15-29(22-10-6-5-9-20(21)22)23(30)28-17-11-13-18(14-12-17)31-24(25,26)27/h3-15H,2H2,1H3,(H,28,30)
InChIKeyCWJJUZHDWFBANH-UHFFFAOYSA-N
XLogP6.85
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.42
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide
CID 59804507
3-(2-acetylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide
CID 25109396
N-[4-(trifluoromethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59804529
N-[4-(1,1-difluoroethoxy)phenyl]-3-[2-(methoxymethyl)phenyl]indole-1-carboxamide;2-[4-(1,1-difluoroethoxy)phenyl]-1-[3-(2-propan-2-ylphenyl)indol-1-yl]ethanone
CID 123848222
2-naphthalen-1-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 4844198
2-(2-ethylphenoxy)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711312
2-phenyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 4845915
N-methyl-2-naphthalen-1-yl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]acetamide
CID 8781648
4-[1-[(4-methoxyphenyl)carbamoyl]-5-(trifluoromethoxy)indol-3-yl]-5-methyl-1,3-oxazole-2-carboxamide
CID 57262773
N,N-diethyl-2-[3-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylindol-1-yl]acetamide
CID 27637919
2-(1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711309
(2R)-2-phenyl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 7957205

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide?
The IUPAC name of 3-(2-ethylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide (CID 59804527) is 3-(2-ethylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide.
What is the SMILES notation for 3-(2-ethylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide?
The canonical SMILES for 3-(2-ethylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide is CCc1ccccc1-c1cn(C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc12.
What is the InChIKey of 3-(2-ethylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide?
The InChIKey is CWJJUZHDWFBANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O2/c1-2-16-7-3-4-8-19(16)21-15-29(22-10-6-5-9-20(21)22)23(30)28-17-11-13-18(14-12-17)31-24(25,26)27/h3-15H,2H2,1H3,(H,28,30).
What are the key properties of 3-(2-ethylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide?
3-(2-ethylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide has a molecular weight of 424.42 g/mol, XLogP of 6.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide is sourced from PubChem (CID 59804527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).