5-bromo-N-[2-(3-bromo-4-methoxyphenyl)ethyl]furan-2-carboxamide

C14H13Br2NO3 — CID 50985851

IUPAC5-bromo-N-[2-(3-bromo-4-methoxyphenyl)ethyl]furan-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(Br)o2)cc1Br
InChIInChI=1S/C14H13Br2NO3/c1-19-11-3-2-9(8-10(11)15)6-7-17-14(18)12-4-5-13(16)20-12/h2-5,8H,6-7H2,1H3,(H,17,18)
InChIKeyVYATYEIQRJUQDW-UHFFFAOYSA-N
MW403.07 g/mol
LogP3.79
Rot. Bonds5

About 5-bromo-N-[2-(3-bromo-4-methoxyphenyl)ethyl]furan-2-carboxamide

5-bromo-N-[2-(3-bromo-4-methoxyphenyl)ethyl]furan-2-carboxamide (PubChem CID 50985851) has the molecular formula C14H13Br2NO3 and a molecular weight of 403.07 g/mol. Its IUPAC name is 5-bromo-N-[2-(3-bromo-4-methoxyphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(3-bromo-4-methoxyphenyl)ethyl]furan-2-carboxamide
PubChem CID50985851
Molecular FormulaC14H13Br2NO3
Molecular Weight403.07 g/mol
Exact Mass400.93
IUPAC Name5-bromo-N-[2-(3-bromo-4-methoxyphenyl)ethyl]furan-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(Br)o2)cc1Br
InChIInChI=1S/C14H13Br2NO3/c1-19-11-3-2-9(8-10(11)15)6-7-17-14(18)12-4-5-13(16)20-12/h2-5,8H,6-7H2,1H3,(H,17,18)
InChIKeyVYATYEIQRJUQDW-UHFFFAOYSA-N
XLogP3.79
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.07
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzylfuran-2-carboxamide
CID 347531
3-bromo-N-(furan-2-ylmethyl)benzamide
CID 809128
2-bromo-N-(furan-2-ylmethyl)benzamide
CID 721318
N-(4-ethoxybenzyl)furan-2-carboxamide
CID 861821
5-bromo-N-[(2-chlorophenyl)methyl]furan-2-carboxamide
CID 888361
5-bromo-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 2668570
5-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-2-furancarboxamide
CID 2971387
5-bromo-N-cyclohexyl-1-benzofuran-2-carboxamide
CID 2991779
N-(2-{[2-(4-methylphenoxy)acetyl]amino}ethyl)-2-furamide
CID 6490915
5-bromo-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 7478817
N-[2-(benzylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide
CID 7964563
5-bromo-N-[(1-phenylcyclopentyl)methyl]furan-2-carboxamide
CID 744679

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(3-bromo-4-methoxyphenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(3-bromo-4-methoxyphenyl)ethyl]furan-2-carboxamide (CID 50985851) is 5-bromo-N-[2-(3-bromo-4-methoxyphenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(3-bromo-4-methoxyphenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(3-bromo-4-methoxyphenyl)ethyl]furan-2-carboxamide is COc1ccc(CCNC(=O)c2ccc(Br)o2)cc1Br.
What is the InChIKey of 5-bromo-N-[2-(3-bromo-4-methoxyphenyl)ethyl]furan-2-carboxamide?
The InChIKey is VYATYEIQRJUQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO3/c1-19-11-3-2-9(8-10(11)15)6-7-17-14(18)12-4-5-13(16)20-12/h2-5,8H,6-7H2,1H3,(H,17,18).
What are the key properties of 5-bromo-N-[2-(3-bromo-4-methoxyphenyl)ethyl]furan-2-carboxamide?
5-bromo-N-[2-(3-bromo-4-methoxyphenyl)ethyl]furan-2-carboxamide has a molecular weight of 403.07 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(3-bromo-4-methoxyphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 50985851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).