2-(5-bromoindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide

C16H10BrF3N2O — CID 4070259

IUPAC2-(5-bromoindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(Cn1ccc2cc(Br)ccc21)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H10BrF3N2O/c17-10-1-4-13-9(7-10)5-6-22(13)8-14(23)21-12-3-2-11(18)15(19)16(12)20/h1-7H,8H2,(H,21,23)
InChIKeyLULNQSOTYWWZHL-UHFFFAOYSA-N
MW383.17 g/mol
LogP4.46
Rot. Bonds3

About 2-(5-bromoindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide

2-(5-bromoindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 4070259) has the molecular formula C16H10BrF3N2O and a molecular weight of 383.17 g/mol. Its IUPAC name is 2-(5-bromoindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-bromoindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID4070259
Molecular FormulaC16H10BrF3N2O
Molecular Weight383.17 g/mol
Exact Mass381.99
IUPAC Name2-(5-bromoindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(Cn1ccc2cc(Br)ccc21)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H10BrF3N2O/c17-10-1-4-13-9(7-10)5-6-22(13)8-14(23)21-12-3-2-11(18)15(19)16(12)20/h1-7H,8H2,(H,21,23)
InChIKeyLULNQSOTYWWZHL-UHFFFAOYSA-N
XLogP4.46
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.17
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromoindol-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 4571080
2-(5-bromoindol-1-yl)-N-(4-bromophenyl)acetamide
CID 4291378
N-(2-bromo-4,5-dimethylphenyl)-2-(5-bromoindol-1-yl)acetamide
CID 4048909
N-(4-bromo-3-chlorophenyl)-2-(5-bromoindol-1-yl)acetamide
CID 4063742
2-(5-bromoindol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 3420795
2-(5-bromoindol-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 42537123
(2S)-2-[[2-(5-bromoindol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 39310431
2-(5-bromoindol-1-yl)-N-(1H-indol-5-yl)acetamide
CID 42507122
N-[(5-bromoindol-1-yl)methyl]acetamide
CID 173119259
2-(5-bromoindol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40631420
2-(4-bromophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 2631889
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 5-bromo-2-hydroxybenzoate
CID 16525414

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromoindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(5-bromoindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide (CID 4070259) is 2-(5-bromoindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(5-bromoindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(5-bromoindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide is O=C(Cn1ccc2cc(Br)ccc21)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(5-bromoindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is LULNQSOTYWWZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF3N2O/c17-10-1-4-13-9(7-10)5-6-22(13)8-14(23)21-12-3-2-11(18)15(19)16(12)20/h1-7H,8H2,(H,21,23).
What are the key properties of 2-(5-bromoindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide?
2-(5-bromoindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 383.17 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromoindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 4070259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).