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

C24H17F3N2O3 — CID 25109396

IUPAC3-(2-acetylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide
SMILESCC(=O)c1ccccc1-c1cn(C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C24H17F3N2O3/c1-15(30)18-6-2-3-7-19(18)21-14-29(22-9-5-4-8-20(21)22)23(31)28-16-10-12-17(13-11-16)32-24(25,26)27/h2-14H,1H3,(H,28,31)
InChIKeyRNCRMBKWSOSTKB-UHFFFAOYSA-N
MW438.41 g/mol
LogP6.49
Rot. Bonds4

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

3-(2-acetylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide (PubChem CID 25109396) has the molecular formula C24H17F3N2O3 and a molecular weight of 438.41 g/mol. Its IUPAC name is 3-(2-acetylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide.

Molecular Properties

Compound Name3-(2-acetylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide
PubChem CID25109396
Molecular FormulaC24H17F3N2O3
Molecular Weight438.41 g/mol
Exact Mass438.12
IUPAC Name3-(2-acetylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide
SMILESCC(=O)c1ccccc1-c1cn(C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C24H17F3N2O3/c1-15(30)18-6-2-3-7-19(18)21-14-29(22-9-5-4-8-20(21)22)23(31)28-16-10-12-17(13-11-16)32-24(25,26)27/h2-14H,1H3,(H,28,31)
InChIKeyRNCRMBKWSOSTKB-UHFFFAOYSA-N
XLogP6.49
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.41
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide
CID 59804527
N-[4-(trifluoromethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59804529
3-[2-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide
CID 59804507
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
1-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
CID 138583118
1-[2-[2-(trifluoromethoxy)phenyl]phenyl]ethanone
CID 16768650
1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide
CID 142144730
N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47193651
4-[1-[(4-methoxyphenyl)carbamoyl]-5-(trifluoromethoxy)indol-3-yl]-5-methyl-1,3-oxazole-2-carboxamide
CID 57262773
2,3-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 24641310
2-naphthalen-1-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 4844198
2-(1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711309

Frequently Asked Questions

What is the IUPAC name of 3-(2-acetylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide?
The IUPAC name of 3-(2-acetylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide (CID 25109396) is 3-(2-acetylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide.
What is the SMILES notation for 3-(2-acetylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide?
The canonical SMILES for 3-(2-acetylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide is CC(=O)c1ccccc1-c1cn(C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc12.
What is the InChIKey of 3-(2-acetylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide?
The InChIKey is RNCRMBKWSOSTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N2O3/c1-15(30)18-6-2-3-7-19(18)21-14-29(22-9-5-4-8-20(21)22)23(31)28-16-10-12-17(13-11-16)32-24(25,26)27/h2-14H,1H3,(H,28,31).
What are the key properties of 3-(2-acetylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide?
3-(2-acetylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide has a molecular weight of 438.41 g/mol, XLogP of 6.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-acetylphenyl)-N-[4-(trifluoromethoxy)phenyl]indole-1-carboxamide is sourced from PubChem (CID 25109396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).