6-(4-bromophenoxy)-N-(2-carbamoyl-1-benzofuran-3-yl)pyridine-3-carboxamide

C21H14BrN3O4 — CID 112834310

IUPAC6-(4-bromophenoxy)-N-(2-carbamoyl-1-benzofuran-3-yl)pyridine-3-carboxamide
SMILESNC(=O)c1oc2ccccc2c1NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1
InChIInChI=1S/C21H14BrN3O4/c22-13-6-8-14(9-7-13)28-17-10-5-12(11-24-17)21(27)25-18-15-3-1-2-4-16(15)29-19(18)20(23)26/h1-11H,(H2,23,26)(H,25,27)
InChIKeyJUQMOEKZIWCGJQ-UHFFFAOYSA-N
MW452.26 g/mol
LogP4.73
Rot. Bonds5

About 6-(4-bromophenoxy)-N-(2-carbamoyl-1-benzofuran-3-yl)pyridine-3-carboxamide

6-(4-bromophenoxy)-N-(2-carbamoyl-1-benzofuran-3-yl)pyridine-3-carboxamide (PubChem CID 112834310) has the molecular formula C21H14BrN3O4 and a molecular weight of 452.26 g/mol. Its IUPAC name is 6-(4-bromophenoxy)-N-(2-carbamoyl-1-benzofuran-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-bromophenoxy)-N-(2-carbamoyl-1-benzofuran-3-yl)pyridine-3-carboxamide
PubChem CID112834310
Molecular FormulaC21H14BrN3O4
Molecular Weight452.26 g/mol
Exact Mass451.02
IUPAC Name6-(4-bromophenoxy)-N-(2-carbamoyl-1-benzofuran-3-yl)pyridine-3-carboxamide
SMILESNC(=O)c1oc2ccccc2c1NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1
InChIInChI=1S/C21H14BrN3O4/c22-13-6-8-14(9-7-13)28-17-10-5-12(11-24-17)21(27)25-18-15-3-1-2-4-16(15)29-19(18)20(23)26/h1-11H,(H2,23,26)(H,25,27)
InChIKeyJUQMOEKZIWCGJQ-UHFFFAOYSA-N
XLogP4.73
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.26
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 587379
N-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
CID 46488305
6-(4-bromophenoxy)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 51117837
3-[(4-bromobenzoyl)amino]-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 16814422
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide
CID 4092513
3-[[4-(dimethylamino)benzoyl]amino]-1-benzofuran-2-carboxamide
CID 5051440
ethyl 3-[[4-[4-[(2-ethoxycarbonyl-1-benzofuran-3-yl)carbamoyl]phenoxy]benzoyl]amino]-1-benzofuran-2-carboxylate
CID 5165811
3-[(4-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 3517374
3-[[2-(3-bromophenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 17409563
N'-[6-(4-bromophenoxy)pyridine-3-carbonyl]-1-methylindole-3-carbohydrazide
CID 55792056
3-[[4-(2-methylpropanoylamino)benzoyl]amino]-1-benzofuran-2-carboxamide
CID 167790473
N-(2-amino-2-methylpropyl)-6-(4-bromophenoxy)pyridine-3-carboxamide;dihydrochloride
CID 119625868

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenoxy)-N-(2-carbamoyl-1-benzofuran-3-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-bromophenoxy)-N-(2-carbamoyl-1-benzofuran-3-yl)pyridine-3-carboxamide (CID 112834310) is 6-(4-bromophenoxy)-N-(2-carbamoyl-1-benzofuran-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-bromophenoxy)-N-(2-carbamoyl-1-benzofuran-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-bromophenoxy)-N-(2-carbamoyl-1-benzofuran-3-yl)pyridine-3-carboxamide is NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1.
What is the InChIKey of 6-(4-bromophenoxy)-N-(2-carbamoyl-1-benzofuran-3-yl)pyridine-3-carboxamide?
The InChIKey is JUQMOEKZIWCGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrN3O4/c22-13-6-8-14(9-7-13)28-17-10-5-12(11-24-17)21(27)25-18-15-3-1-2-4-16(15)29-19(18)20(23)26/h1-11H,(H2,23,26)(H,25,27).
What are the key properties of 6-(4-bromophenoxy)-N-(2-carbamoyl-1-benzofuran-3-yl)pyridine-3-carboxamide?
6-(4-bromophenoxy)-N-(2-carbamoyl-1-benzofuran-3-yl)pyridine-3-carboxamide has a molecular weight of 452.26 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenoxy)-N-(2-carbamoyl-1-benzofuran-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 112834310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).