5-(4-bromophenyl)-N-(4-ethoxyphenyl)-2-methylfuran-3-carboxamide

C20H18BrNO3 — CID 16651497

IUPAC5-(4-bromophenyl)-N-(4-ethoxyphenyl)-2-methylfuran-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)oc2C)cc1
InChIInChI=1S/C20H18BrNO3/c1-3-24-17-10-8-16(9-11-17)22-20(23)18-12-19(25-13(18)2)14-4-6-15(21)7-5-14/h4-12H,3H2,1-2H3,(H,22,23)
InChIKeyNFXUPONCBYWALR-UHFFFAOYSA-N
MW400.27 g/mol
LogP5.67
Rot. Bonds5

About 5-(4-bromophenyl)-N-(4-ethoxyphenyl)-2-methylfuran-3-carboxamide

5-(4-bromophenyl)-N-(4-ethoxyphenyl)-2-methylfuran-3-carboxamide (PubChem CID 16651497) has the molecular formula C20H18BrNO3 and a molecular weight of 400.27 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-(4-ethoxyphenyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-(4-ethoxyphenyl)-2-methylfuran-3-carboxamide
PubChem CID16651497
Molecular FormulaC20H18BrNO3
Molecular Weight400.27 g/mol
Exact Mass399.05
IUPAC Name5-(4-bromophenyl)-N-(4-ethoxyphenyl)-2-methylfuran-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)oc2C)cc1
InChIInChI=1S/C20H18BrNO3/c1-3-24-17-10-8-16(9-11-17)22-20(23)18-12-19(25-13(18)2)14-4-6-15(21)7-5-14/h4-12H,3H2,1-2H3,(H,22,23)
InChIKeyNFXUPONCBYWALR-UHFFFAOYSA-N
XLogP5.67
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.27
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N,5-bis(4-methylphenyl)furan-3-carboxamide
CID 16650715
N-(4-bromophenyl)-5-(3,5-dichlorophenyl)-2-methylfuran-3-carboxamide
CID 18808826
[4-[[5-(4-bromophenyl)-2-methylfuran-3-carbonyl]amino]phenyl] thiocyanate
CID 16651512
N-(4-bromophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100504365
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
4-bromo-N-(4-ethoxyphenyl)-2-sulfanylbenzamide
CID 107019834
butyl 4-[[2-methyl-5-(4-methylphenyl)furan-3-carbonyl]amino]benzoate
CID 16650811
6-bromo-N-(4-ethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1363456
5-[4-(difluoromethoxy)phenyl]-2-methyl-N-phenylfuran-3-carboxamide
CID 141116560
5-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-2-methylfuran-3-carboxamide
CID 2958681
5-bromo-N-(4-ethoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 3601277
N-(2-ethoxyphenyl)-5-(4-fluorophenyl)-2-methylfuran-3-carboxamide
CID 16650861

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-(4-ethoxyphenyl)-2-methylfuran-3-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-(4-ethoxyphenyl)-2-methylfuran-3-carboxamide (CID 16651497) is 5-(4-bromophenyl)-N-(4-ethoxyphenyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-(4-ethoxyphenyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-(4-ethoxyphenyl)-2-methylfuran-3-carboxamide is CCOc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)oc2C)cc1.
What is the InChIKey of 5-(4-bromophenyl)-N-(4-ethoxyphenyl)-2-methylfuran-3-carboxamide?
The InChIKey is NFXUPONCBYWALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO3/c1-3-24-17-10-8-16(9-11-17)22-20(23)18-12-19(25-13(18)2)14-4-6-15(21)7-5-14/h4-12H,3H2,1-2H3,(H,22,23).
What are the key properties of 5-(4-bromophenyl)-N-(4-ethoxyphenyl)-2-methylfuran-3-carboxamide?
5-(4-bromophenyl)-N-(4-ethoxyphenyl)-2-methylfuran-3-carboxamide has a molecular weight of 400.27 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-(4-ethoxyphenyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 16651497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).