3-[(5-bromofuran-2-carbonyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide

C22H17BrN2O6 — CID 16818067

IUPAC3-[(5-bromofuran-2-carbonyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C22H17BrN2O6/c1-28-12-7-8-16(29-2)14(11-12)24-22(27)20-19(13-5-3-4-6-15(13)31-20)25-21(26)17-9-10-18(23)30-17/h3-11H,1-2H3,(H,24,27)(H,25,26)
InChIKeyRPBBJFZEDIUOSG-UHFFFAOYSA-N
MW485.29 g/mol
LogP5.31
Rot. Bonds6

About 3-[(5-bromofuran-2-carbonyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide

3-[(5-bromofuran-2-carbonyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide (PubChem CID 16818067) has the molecular formula C22H17BrN2O6 and a molecular weight of 485.29 g/mol. Its IUPAC name is 3-[(5-bromofuran-2-carbonyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(5-bromofuran-2-carbonyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide
PubChem CID16818067
Molecular FormulaC22H17BrN2O6
Molecular Weight485.29 g/mol
Exact Mass484.03
IUPAC Name3-[(5-bromofuran-2-carbonyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C22H17BrN2O6/c1-28-12-7-8-16(29-2)14(11-12)24-22(27)20-19(13-5-3-4-6-15(13)31-20)25-21(26)17-9-10-18(23)30-17/h3-11H,1-2H3,(H,24,27)(H,25,26)
InChIKeyRPBBJFZEDIUOSG-UHFFFAOYSA-N
XLogP5.31
TPSA102.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.29
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(5-bromofuran-2-carbonyl)amino]-N-(3,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 16818188
3-[(2,5-dichlorobenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 16818010
5-bromo-N-(2-bromo-5-methoxyphenyl)furan-2-carboxamide
CID 51130825
N-(2,4-dimethoxyphenyl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide
CID 16814944
3-[(2-cyclopentylacetyl)amino]-N-(2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 7160217
N-(2,4-dimethoxyphenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875443
3-(cyclohexylsulfanylmethyl)-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 7962711
3-acetamido-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875163
3-[(4-bromobenzoyl)amino]-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 16814422
5-bromo-N-(2,5-diethoxyphenyl)furan-2-carboxamide
CID 26180023
3-(2,2-dimethylpropanoylamino)-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 3241060
1-(2,5-dimethoxyphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea
CID 54723744

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromofuran-2-carbonyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(5-bromofuran-2-carbonyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide (CID 16818067) is 3-[(5-bromofuran-2-carbonyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(5-bromofuran-2-carbonyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(5-bromofuran-2-carbonyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide is COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(Br)o2)c1.
What is the InChIKey of 3-[(5-bromofuran-2-carbonyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is RPBBJFZEDIUOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN2O6/c1-28-12-7-8-16(29-2)14(11-12)24-22(27)20-19(13-5-3-4-6-15(13)31-20)25-21(26)17-9-10-18(23)30-17/h3-11H,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 3-[(5-bromofuran-2-carbonyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide?
3-[(5-bromofuran-2-carbonyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 485.29 g/mol, XLogP of 5.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromofuran-2-carbonyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16818067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).