2-anilino-N-(1H-indol-4-yl)-2-[3-(trifluoromethyl)phenyl]acetamide

C23H18F3N3O — CID 46176392

IUPAC2-anilino-N-(1H-indol-4-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Nc1cccc2[nH]ccc12)C(Nc1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H18F3N3O/c24-23(25,26)16-7-4-6-15(14-16)21(28-17-8-2-1-3-9-17)22(30)29-20-11-5-10-19-18(20)12-13-27-19/h1-14,21,27-28H,(H,29,30)
InChIKeyFDRHLSXHHZDRJB-UHFFFAOYSA-N
MW409.41 g/mol
LogP5.98
Rot. Bonds5

About 2-anilino-N-(1H-indol-4-yl)-2-[3-(trifluoromethyl)phenyl]acetamide

2-anilino-N-(1H-indol-4-yl)-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 46176392) has the molecular formula C23H18F3N3O and a molecular weight of 409.41 g/mol. Its IUPAC name is 2-anilino-N-(1H-indol-4-yl)-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-anilino-N-(1H-indol-4-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID46176392
Molecular FormulaC23H18F3N3O
Molecular Weight409.41 g/mol
Exact Mass409.14
IUPAC Name2-anilino-N-(1H-indol-4-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Nc1cccc2[nH]ccc12)C(Nc1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H18F3N3O/c24-23(25,26)16-7-4-6-15(14-16)21(28-17-8-2-1-3-9-17)22(30)29-20-11-5-10-19-18(20)12-13-27-19/h1-14,21,27-28H,(H,29,30)
InChIKeyFDRHLSXHHZDRJB-UHFFFAOYSA-N
XLogP5.98
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.41
LogP ≤ 55.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-2-[3-(trifluoromethyl)phenyl]acetamide
CID 61005725
ethyl N-[4-[[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]carbamate
CID 60542528
2-anilino-N-(1H-indazol-7-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 46176221
(2S)-2-anilino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 2464532
2-[4-(2-amino-2-oxoethoxy)anilino]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 55598567
2-(1H-benzimidazol-2-ylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 130366252
(2R)-N-(ethylcarbamoyl)-2-phenyl-2-[3-(trifluoromethyl)anilino]acetamide
CID 40794821
fluoro N-(1H-indol-4-yl)carbamate
CID 174803649
N-(1H-indol-4-yl)-2,2-dimethylpropanamide
CID 110730904
(2S)-2-anilino-N-(4-fluorophenyl)-2-phenylacetamide
CID 7830464
1-(2-sulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 108886280
2-methyl-3-[[(2S)-2-phenylpropanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 124680099

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(1H-indol-4-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-anilino-N-(1H-indol-4-yl)-2-[3-(trifluoromethyl)phenyl]acetamide (CID 46176392) is 2-anilino-N-(1H-indol-4-yl)-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-anilino-N-(1H-indol-4-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-anilino-N-(1H-indol-4-yl)-2-[3-(trifluoromethyl)phenyl]acetamide is O=C(Nc1cccc2[nH]ccc12)C(Nc1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-anilino-N-(1H-indol-4-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is FDRHLSXHHZDRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O/c24-23(25,26)16-7-4-6-15(14-16)21(28-17-8-2-1-3-9-17)22(30)29-20-11-5-10-19-18(20)12-13-27-19/h1-14,21,27-28H,(H,29,30).
What are the key properties of 2-anilino-N-(1H-indol-4-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
2-anilino-N-(1H-indol-4-yl)-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 409.41 g/mol, XLogP of 5.98, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(1H-indol-4-yl)-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 46176392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).