5-bromo-N-(5-chloro-2-phenoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide

C22H15BrClNO3 — CID 4543107

IUPAC5-bromo-N-(5-chloro-2-phenoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2ccc(Br)cc12
InChIInChI=1S/C22H15BrClNO3/c1-13-17-11-14(23)7-9-19(17)28-21(13)22(26)25-18-12-15(24)8-10-20(18)27-16-5-3-2-4-6-16/h2-12H,1H3,(H,25,26)
InChIKeyOTLYXBOPIHACFO-UHFFFAOYSA-N
MW456.72 g/mol
LogP7.20
Rot. Bonds4

About 5-bromo-N-(5-chloro-2-phenoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide

5-bromo-N-(5-chloro-2-phenoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 4543107) has the molecular formula C22H15BrClNO3 and a molecular weight of 456.72 g/mol. Its IUPAC name is 5-bromo-N-(5-chloro-2-phenoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-chloro-2-phenoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID4543107
Molecular FormulaC22H15BrClNO3
Molecular Weight456.72 g/mol
Exact Mass454.99
IUPAC Name5-bromo-N-(5-chloro-2-phenoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2ccc(Br)cc12
InChIInChI=1S/C22H15BrClNO3/c1-13-17-11-14(23)7-9-19(17)28-21(13)22(26)25-18-12-15(24)8-10-20(18)27-16-5-3-2-4-6-16/h2-12H,1H3,(H,25,26)
InChIKeyOTLYXBOPIHACFO-UHFFFAOYSA-N
XLogP7.20
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.72
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 27843870
N-(5-chloro-2-phenoxyphenyl)benzamide
CID 956230
N-(5-chloro-2-phenoxyphenyl)-4-methylbenzamide
CID 956260
methyl 2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
CID 974608
5-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 35181529
methyl 3-[(5-bromo-3-methyl-1-benzofuran-2-carbonyl)amino]-4-chlorobenzoate
CID 18273257
N-(5-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344840
N-(4-bromo-2-fluorophenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344702
5-chloro-N-[2-(dimethylamino)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 43063974
N-(5-chloro-2-phenoxyphenyl)-2,5-dimethylbenzamide
CID 100657509
5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7992434
(4E)-4-[(2-bromobenzoyl)hydrazinylidene]-N-(5-chloro-2-phenoxyphenyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19157031

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-chloro-2-phenoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(5-chloro-2-phenoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide (CID 4543107) is 5-bromo-N-(5-chloro-2-phenoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-chloro-2-phenoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(5-chloro-2-phenoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)oc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-N-(5-chloro-2-phenoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is OTLYXBOPIHACFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrClNO3/c1-13-17-11-14(23)7-9-19(17)28-21(13)22(26)25-18-12-15(24)8-10-20(18)27-16-5-3-2-4-6-16/h2-12H,1H3,(H,25,26).
What are the key properties of 5-bromo-N-(5-chloro-2-phenoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide?
5-bromo-N-(5-chloro-2-phenoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 456.72 g/mol, XLogP of 7.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-chloro-2-phenoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4543107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).