3-bromo-N-[2-(trifluoromethyl)-1H-indol-5-yl]benzamide

C16H10BrF3N2O — CID 110476896

IUPAC3-bromo-N-[2-(trifluoromethyl)-1H-indol-5-yl]benzamide
SMILESO=C(Nc1ccc2[nH]c(C(F)(F)F)cc2c1)c1cccc(Br)c1
InChIInChI=1S/C16H10BrF3N2O/c17-11-3-1-2-9(6-11)15(23)21-12-4-5-13-10(7-12)8-14(22-13)16(18,19)20/h1-8,22H,(H,21,23)
InChIKeyPGGNOZGAIYOHBG-UHFFFAOYSA-N
MW383.17 g/mol
LogP5.20
Rot. Bonds2

About 3-bromo-N-[2-(trifluoromethyl)-1H-indol-5-yl]benzamide

3-bromo-N-[2-(trifluoromethyl)-1H-indol-5-yl]benzamide (PubChem CID 110476896) has the molecular formula C16H10BrF3N2O and a molecular weight of 383.17 g/mol. Its IUPAC name is 3-bromo-N-[2-(trifluoromethyl)-1H-indol-5-yl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(trifluoromethyl)-1H-indol-5-yl]benzamide
PubChem CID110476896
Molecular FormulaC16H10BrF3N2O
Molecular Weight383.17 g/mol
Exact Mass381.99
IUPAC Name3-bromo-N-[2-(trifluoromethyl)-1H-indol-5-yl]benzamide
SMILESO=C(Nc1ccc2[nH]c(C(F)(F)F)cc2c1)c1cccc(Br)c1
InChIInChI=1S/C16H10BrF3N2O/c17-11-3-1-2-9(6-11)15(23)21-12-4-5-13-10(7-12)8-14(22-13)16(18,19)20/h1-8,22H,(H,21,23)
InChIKeyPGGNOZGAIYOHBG-UHFFFAOYSA-N
XLogP5.20
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.17
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-oxo-N-[2-(trifluoromethyl)-1H-indol-5-yl]pentanamide
CID 84581711
3-bromo-N-(3-chloro-4-fluorophenyl)benzamide
CID 789113
2-(2-methylphenyl)-N-[2-(trifluoromethyl)-1H-indol-5-yl]acetamide
CID 112534141
3-bromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 60776244
3-bromo-N-pyridin-4-ylbenzamide
CID 4130300
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54791205
N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)benzamide
CID 104779331
4-[(3-bromobenzoyl)amino]benzoate
CID 6943789
3-[(3-bromobenzoyl)amino]-N-(4-fluoro-3-nitrophenyl)benzamide
CID 112832453
2,3-dioxo-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,4-dihydroquinoxaline-6-carboxamide
CID 23474550
3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 2844876

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(trifluoromethyl)-1H-indol-5-yl]benzamide?
The IUPAC name of 3-bromo-N-[2-(trifluoromethyl)-1H-indol-5-yl]benzamide (CID 110476896) is 3-bromo-N-[2-(trifluoromethyl)-1H-indol-5-yl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-(trifluoromethyl)-1H-indol-5-yl]benzamide?
The canonical SMILES for 3-bromo-N-[2-(trifluoromethyl)-1H-indol-5-yl]benzamide is O=C(Nc1ccc2[nH]c(C(F)(F)F)cc2c1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-(trifluoromethyl)-1H-indol-5-yl]benzamide?
The InChIKey is PGGNOZGAIYOHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF3N2O/c17-11-3-1-2-9(6-11)15(23)21-12-4-5-13-10(7-12)8-14(22-13)16(18,19)20/h1-8,22H,(H,21,23).
What are the key properties of 3-bromo-N-[2-(trifluoromethyl)-1H-indol-5-yl]benzamide?
3-bromo-N-[2-(trifluoromethyl)-1H-indol-5-yl]benzamide has a molecular weight of 383.17 g/mol, XLogP of 5.20, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(trifluoromethyl)-1H-indol-5-yl]benzamide is sourced from PubChem (CID 110476896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).