N-[2-(1-benzofuran-3-yl)-6-chlorophenyl]-4-bromobenzamide

C21H13BrClNO2 — CID 147811520

IUPACN-[2-(1-benzofuran-3-yl)-6-chlorophenyl]-4-bromobenzamide
SMILESO=C(Nc1c(Cl)cccc1-c1coc2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C21H13BrClNO2/c22-14-10-8-13(9-11-14)21(25)24-20-16(5-3-6-18(20)23)17-12-26-19-7-2-1-4-15(17)19/h1-12H,(H,24,25)
InChIKeyHNLUZSFQEKUMJI-UHFFFAOYSA-N
MW426.70 g/mol
LogP6.77
Rot. Bonds3

About N-[2-(1-benzofuran-3-yl)-6-chlorophenyl]-4-bromobenzamide

N-[2-(1-benzofuran-3-yl)-6-chlorophenyl]-4-bromobenzamide (PubChem CID 147811520) has the molecular formula C21H13BrClNO2 and a molecular weight of 426.70 g/mol. Its IUPAC name is N-[2-(1-benzofuran-3-yl)-6-chlorophenyl]-4-bromobenzamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-3-yl)-6-chlorophenyl]-4-bromobenzamide
PubChem CID147811520
Molecular FormulaC21H13BrClNO2
Molecular Weight426.70 g/mol
Exact Mass424.98
IUPAC NameN-[2-(1-benzofuran-3-yl)-6-chlorophenyl]-4-bromobenzamide
SMILESO=C(Nc1c(Cl)cccc1-c1coc2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C21H13BrClNO2/c22-14-10-8-13(9-11-14)21(25)24-20-16(5-3-6-18(20)23)17-12-26-19-7-2-1-4-15(17)19/h1-12H,(H,24,25)
InChIKeyHNLUZSFQEKUMJI-UHFFFAOYSA-N
XLogP6.77
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.70
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-3-yl)-6-chlorophenyl]-4-bromobenzamide?
The IUPAC name of N-[2-(1-benzofuran-3-yl)-6-chlorophenyl]-4-bromobenzamide (CID 147811520) is N-[2-(1-benzofuran-3-yl)-6-chlorophenyl]-4-bromobenzamide.
What is the SMILES notation for N-[2-(1-benzofuran-3-yl)-6-chlorophenyl]-4-bromobenzamide?
The canonical SMILES for N-[2-(1-benzofuran-3-yl)-6-chlorophenyl]-4-bromobenzamide is O=C(Nc1c(Cl)cccc1-c1coc2ccccc12)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(1-benzofuran-3-yl)-6-chlorophenyl]-4-bromobenzamide?
The InChIKey is HNLUZSFQEKUMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13BrClNO2/c22-14-10-8-13(9-11-14)21(25)24-20-16(5-3-6-18(20)23)17-12-26-19-7-2-1-4-15(17)19/h1-12H,(H,24,25).
What are the key properties of N-[2-(1-benzofuran-3-yl)-6-chlorophenyl]-4-bromobenzamide?
N-[2-(1-benzofuran-3-yl)-6-chlorophenyl]-4-bromobenzamide has a molecular weight of 426.70 g/mol, XLogP of 6.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-3-yl)-6-chlorophenyl]-4-bromobenzamide is sourced from PubChem (CID 147811520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).