5-bromo-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide

C16H11BrF3NO2 — CID 2821775

IUPAC5-bromo-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C16H11BrF3NO2/c17-11-7-9-5-6-23-14(9)13(8-11)15(22)21-12-3-1-10(2-4-12)16(18,19)20/h1-4,7-8H,5-6H2,(H,21,22)
InChIKeyKKAVMJAKAXTTMW-UHFFFAOYSA-N
MW386.17 g/mol
LogP4.66
Rot. Bonds2

About 5-bromo-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide

5-bromo-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 2821775) has the molecular formula C16H11BrF3NO2 and a molecular weight of 386.17 g/mol. Its IUPAC name is 5-bromo-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID2821775
Molecular FormulaC16H11BrF3NO2
Molecular Weight386.17 g/mol
Exact Mass384.99
IUPAC Name5-bromo-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C16H11BrF3NO2/c17-11-7-9-5-6-23-14(9)13(8-11)15(22)21-12-3-1-10(2-4-12)16(18,19)20/h1-4,7-8H,5-6H2,(H,21,22)
InChIKeyKKAVMJAKAXTTMW-UHFFFAOYSA-N
XLogP4.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.17
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103309448
2-amino-5-bromo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 62151819
6-[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 91937328
(2-amino-5-fluorophenyl)-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methanone
CID 104544248
6-chloro-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 7668576
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106892614
5-bromo-4-chloro-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide
CID 134146320
5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxybenzamide
CID 38558716
2-hydroxy-1-N,3-N-bis[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 155920070
[5-bromo-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] benzoate
CID 86576946
2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 10065394
2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2064029

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of 5-bromo-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide (CID 2821775) is 5-bromo-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Br)cc2c1OCC2.
What is the InChIKey of 5-bromo-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is KKAVMJAKAXTTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF3NO2/c17-11-7-9-5-6-23-14(9)13(8-11)15(22)21-12-3-1-10(2-4-12)16(18,19)20/h1-4,7-8H,5-6H2,(H,21,22).
What are the key properties of 5-bromo-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
5-bromo-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 386.17 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 2821775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).