(3-bromo-4-methoxyphenyl)-[3-[(2-methylphenyl)methylamino]-1-benzofuran-2-yl]methanone

C24H20BrNO3 — CID 110827348

IUPAC(3-bromo-4-methoxyphenyl)-[3-[(2-methylphenyl)methylamino]-1-benzofuran-2-yl]methanone
SMILESCOc1ccc(C(=O)c2oc3ccccc3c2NCc2ccccc2C)cc1Br
InChIInChI=1S/C24H20BrNO3/c1-15-7-3-4-8-17(15)14-26-22-18-9-5-6-10-20(18)29-24(22)23(27)16-11-12-21(28-2)19(25)13-16/h3-13,26H,14H2,1-2H3
InChIKeyBIDCLKUUJUEIPJ-UHFFFAOYSA-N
MW450.33 g/mol
LogP6.36
Rot. Bonds6

About (3-bromo-4-methoxyphenyl)-[3-[(2-methylphenyl)methylamino]-1-benzofuran-2-yl]methanone

(3-bromo-4-methoxyphenyl)-[3-[(2-methylphenyl)methylamino]-1-benzofuran-2-yl]methanone (PubChem CID 110827348) has the molecular formula C24H20BrNO3 and a molecular weight of 450.33 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-[3-[(2-methylphenyl)methylamino]-1-benzofuran-2-yl]methanone.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-[3-[(2-methylphenyl)methylamino]-1-benzofuran-2-yl]methanone
PubChem CID110827348
Molecular FormulaC24H20BrNO3
Molecular Weight450.33 g/mol
Exact Mass449.06
IUPAC Name(3-bromo-4-methoxyphenyl)-[3-[(2-methylphenyl)methylamino]-1-benzofuran-2-yl]methanone
SMILESCOc1ccc(C(=O)c2oc3ccccc3c2NCc2ccccc2C)cc1Br
InChIInChI=1S/C24H20BrNO3/c1-15-7-3-4-8-17(15)14-26-22-18-9-5-6-10-20(18)29-24(22)23(27)16-11-12-21(28-2)19(25)13-16/h3-13,26H,14H2,1-2H3
InChIKeyBIDCLKUUJUEIPJ-UHFFFAOYSA-N
XLogP6.36
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.33
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methoxyphenyl)ethanone
CID 110825684
(3-chloro-4-methoxyphenyl)-[3-[(2-chlorophenyl)methylamino]-1-benzofuran-2-yl]methanone
CID 110826567
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(2,3-dimethylphenoxy)propanamide
CID 19114858
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide
CID 139582504
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 19114863
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 19114824
(E)-N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-3-phenylprop-2-enamide
CID 19114821
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-ethylphenoxy)acetamide
CID 19114877
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 19114881
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-4-butoxy-3,5-dichlorobenzamide
CID 19114904
2-[[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]amino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110829004
2-[[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
CID 110829556

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-[3-[(2-methylphenyl)methylamino]-1-benzofuran-2-yl]methanone?
The IUPAC name of (3-bromo-4-methoxyphenyl)-[3-[(2-methylphenyl)methylamino]-1-benzofuran-2-yl]methanone (CID 110827348) is (3-bromo-4-methoxyphenyl)-[3-[(2-methylphenyl)methylamino]-1-benzofuran-2-yl]methanone.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-[3-[(2-methylphenyl)methylamino]-1-benzofuran-2-yl]methanone?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-[3-[(2-methylphenyl)methylamino]-1-benzofuran-2-yl]methanone is COc1ccc(C(=O)c2oc3ccccc3c2NCc2ccccc2C)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-[3-[(2-methylphenyl)methylamino]-1-benzofuran-2-yl]methanone?
The InChIKey is BIDCLKUUJUEIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrNO3/c1-15-7-3-4-8-17(15)14-26-22-18-9-5-6-10-20(18)29-24(22)23(27)16-11-12-21(28-2)19(25)13-16/h3-13,26H,14H2,1-2H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-[3-[(2-methylphenyl)methylamino]-1-benzofuran-2-yl]methanone?
(3-bromo-4-methoxyphenyl)-[3-[(2-methylphenyl)methylamino]-1-benzofuran-2-yl]methanone has a molecular weight of 450.33 g/mol, XLogP of 6.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-[3-[(2-methylphenyl)methylamino]-1-benzofuran-2-yl]methanone is sourced from PubChem (CID 110827348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).