5-bromo-N-[3-(difluoromethoxy)phenyl]-1-benzofuran-2-carboxamide

C16H10BrF2NO3 — CID 55782296

IUPAC5-bromo-N-[3-(difluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc(OC(F)F)c1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C16H10BrF2NO3/c17-10-4-5-13-9(6-10)7-14(23-13)15(21)20-11-2-1-3-12(8-11)22-16(18)19/h1-8,16H,(H,20,21)
InChIKeyKHESPNSKIYKQKB-UHFFFAOYSA-N
MW382.16 g/mol
LogP5.05
Rot. Bonds4

About 5-bromo-N-[3-(difluoromethoxy)phenyl]-1-benzofuran-2-carboxamide

5-bromo-N-[3-(difluoromethoxy)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 55782296) has the molecular formula C16H10BrF2NO3 and a molecular weight of 382.16 g/mol. Its IUPAC name is 5-bromo-N-[3-(difluoromethoxy)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(difluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
PubChem CID55782296
Molecular FormulaC16H10BrF2NO3
Molecular Weight382.16 g/mol
Exact Mass380.98
IUPAC Name5-bromo-N-[3-(difluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc(OC(F)F)c1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C16H10BrF2NO3/c17-10-4-5-13-9(6-10)7-14(23-13)15(21)20-11-2-1-3-12(8-11)22-16(18)19/h1-8,16H,(H,20,21)
InChIKeyKHESPNSKIYKQKB-UHFFFAOYSA-N
XLogP5.05
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.16
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-5-methoxy-1-benzofuran-2-carboxamide
CID 51432230
5-bromo-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 2986420
N-(3-bromophenyl)-1-benzofuran-2-carboxamide
CID 802478
5-fluoro-N-(3-methylphenyl)-1-benzofuran-2-carboxamide
CID 78843203
5-bromo-N-(2,6-diethylphenyl)-1-benzofuran-2-carboxamide
CID 19225293
N-(3-ethoxyphenyl)-5-methoxy-1-benzofuran-2-carboxamide
CID 126194395
5-bromo-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
CID 19225383
5-bromo-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide
CID 19225305
2-methylpropyl 4-[(5-bromo-1-benzofuran-2-carbonyl)amino]benzoate
CID 19225315
6-bromo-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 17373619
5-bromo-N-(2-chlorophenyl)-1-benzofuran-2-carboxamide
CID 2988849
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide
CID 61146338

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(difluoromethoxy)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(difluoromethoxy)phenyl]-1-benzofuran-2-carboxamide (CID 55782296) is 5-bromo-N-[3-(difluoromethoxy)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(difluoromethoxy)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(difluoromethoxy)phenyl]-1-benzofuran-2-carboxamide is O=C(Nc1cccc(OC(F)F)c1)c1cc2cc(Br)ccc2o1.
What is the InChIKey of 5-bromo-N-[3-(difluoromethoxy)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is KHESPNSKIYKQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF2NO3/c17-10-4-5-13-9(6-10)7-14(23-13)15(21)20-11-2-1-3-12(8-11)22-16(18)19/h1-8,16H,(H,20,21).
What are the key properties of 5-bromo-N-[3-(difluoromethoxy)phenyl]-1-benzofuran-2-carboxamide?
5-bromo-N-[3-(difluoromethoxy)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 382.16 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(difluoromethoxy)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55782296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).