N-[4-(1-benzofuran-2-yl)phenyl]-2-(4-bromophenyl)acetamide

C22H16BrNO2 — CID 153523835

IUPACN-[4-(1-benzofuran-2-yl)phenyl]-2-(4-bromophenyl)acetamide
SMILESC1=CC=C2C(=C1)C=C(O2)C3=CC=C(C=C3)NC(=O)CC4=CC=C(C=C4)Br
InChIInChI=1S/C22H16BrNO2/c23-18-9-5-15(6-10-18)13-22(25)24-19-11-7-16(8-12-19)21-14-17-3-1-2-4-20(17)26-21/h1-12,14H,13H2,(H,24,25)
InChIKeyRTDQYLZZMJRMEF-UHFFFAOYSA-N
MW406.30 g/mol
LogP5.40
Rot. Bonds4

About N-[4-(1-benzofuran-2-yl)phenyl]-2-(4-bromophenyl)acetamide

N-[4-(1-benzofuran-2-yl)phenyl]-2-(4-bromophenyl)acetamide (PubChem CID 153523835) has the molecular formula C22H16BrNO2 and a molecular weight of 406.30 g/mol. Its IUPAC name is N-[4-(1-benzofuran-2-yl)phenyl]-2-(4-bromophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(1-benzofuran-2-yl)phenyl]-2-(4-bromophenyl)acetamide
PubChem CID153523835
Molecular FormulaC22H16BrNO2
Molecular Weight406.30 g/mol
Exact Mass405.04
IUPAC NameN-[4-(1-benzofuran-2-yl)phenyl]-2-(4-bromophenyl)acetamide
SMILESC1=CC=C2C(=C1)C=C(O2)C3=CC=C(C=C3)NC(=O)CC4=CC=C(C=C4)Br
InChIInChI=1S/C22H16BrNO2/c23-18-9-5-15(6-10-18)13-22(25)24-19-11-7-16(8-12-19)21-14-17-3-1-2-4-20(17)26-21/h1-12,14H,13H2,(H,24,25)
InChIKeyRTDQYLZZMJRMEF-UHFFFAOYSA-N
XLogP5.40
TPSA42.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity469

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.30
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Acetamide, N-3-dibenzofuranyl-
CID 22087
5-(4-bromophenyl)-N-phenyl-2-furamide
CID 2904011
N1-[4-(5-chlorobenzo[b]furan-2-yl)phenyl]-2,2-dimethylpropanamide
CID 2725761
N-[4-(1-benzofuran-2-yl)phenyl]acetamide
CID 660707
(Z)-4-(3-((5-(4-Bromophenyl)furan-2-yl)methylene)-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl)benzoic Acid
CID 1723288
N-[4-(1-benzofuran-2-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 153523840
N-(2-amino-5-(benzofuran-2-yl)phenyl)benzamide
CID 46887475
N-(3-bromophenyl)-1-benzofuran-2-carboxamide
CID 802478
N-(3-benzamidophenyl)-5-(4-bromophenyl)furan-2-carboxamide
CID 1007337
2-[2-(4-bromophenyl)-2-oxoethoxy]-N-phenylbenzamide
CID 1218685
5-bromo-N-dibenzofuran-3-ylfuran-2-carboxamide
CID 2872174
N-Dibenzofuran-3-yl-3-methyl-butyramide
CID 2913552

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-2-yl)phenyl]-2-(4-bromophenyl)acetamide?
The IUPAC name of N-[4-(1-benzofuran-2-yl)phenyl]-2-(4-bromophenyl)acetamide (CID 153523835) is N-[4-(1-benzofuran-2-yl)phenyl]-2-(4-bromophenyl)acetamide.
What is the SMILES notation for N-[4-(1-benzofuran-2-yl)phenyl]-2-(4-bromophenyl)acetamide?
The canonical SMILES for N-[4-(1-benzofuran-2-yl)phenyl]-2-(4-bromophenyl)acetamide is C1=CC=C2C(=C1)C=C(O2)C3=CC=C(C=C3)NC(=O)CC4=CC=C(C=C4)Br.
What is the InChIKey of N-[4-(1-benzofuran-2-yl)phenyl]-2-(4-bromophenyl)acetamide?
The InChIKey is RTDQYLZZMJRMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrNO2/c23-18-9-5-15(6-10-18)13-22(25)24-19-11-7-16(8-12-19)21-14-17-3-1-2-4-20(17)26-21/h1-12,14H,13H2,(H,24,25).
What are the key properties of N-[4-(1-benzofuran-2-yl)phenyl]-2-(4-bromophenyl)acetamide?
N-[4-(1-benzofuran-2-yl)phenyl]-2-(4-bromophenyl)acetamide has a molecular weight of 406.30 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzofuran-2-yl)phenyl]-2-(4-bromophenyl)acetamide is sourced from PubChem (CID 153523835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).