5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide

C17H10BrClF3NO2 — CID 4663876

IUPAC5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)oc2ccc(Br)cc12
InChIInChI=1S/C17H10BrClF3NO2/c1-8-11-6-9(18)2-5-14(11)25-15(8)16(24)23-10-3-4-13(19)12(7-10)17(20,21)22/h2-7H,1H3,(H,23,24)
InChIKeyYKYWGJPUXUYTOG-UHFFFAOYSA-N
MW432.62 g/mol
LogP6.43
Rot. Bonds2

About 5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide

5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 4663876) has the molecular formula C17H10BrClF3NO2 and a molecular weight of 432.62 g/mol. Its IUPAC name is 5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID4663876
Molecular FormulaC17H10BrClF3NO2
Molecular Weight432.62 g/mol
Exact Mass430.95
IUPAC Name5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)oc2ccc(Br)cc12
InChIInChI=1S/C17H10BrClF3NO2/c1-8-11-6-9(18)2-5-14(11)25-15(8)16(24)23-10-3-4-13(19)12(7-10)17(20,21)22/h2-7H,1H3,(H,23,24)
InChIKeyYKYWGJPUXUYTOG-UHFFFAOYSA-N
XLogP6.43
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.62
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide (CID 4663876) is 5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)oc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is YKYWGJPUXUYTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrClF3NO2/c1-8-11-6-9(18)2-5-14(11)25-15(8)16(24)23-10-3-4-13(19)12(7-10)17(20,21)22/h2-7H,1H3,(H,23,24).
What are the key properties of 5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 432.62 g/mol, XLogP of 6.43, 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-chloro-3-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4663876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).