N-(2-bromo-5-methoxyphenyl)-5-ethylfuran-2-carboxamide

C14H14BrNO3 — CID 78989438

IUPACN-(2-bromo-5-methoxyphenyl)-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2cc(OC)ccc2Br)o1
InChIInChI=1S/C14H14BrNO3/c1-3-9-5-7-13(19-9)14(17)16-12-8-10(18-2)4-6-11(12)15/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyWFQIAJCBSWCSIR-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.87
Rot. Bonds4

About N-(2-bromo-5-methoxyphenyl)-5-ethylfuran-2-carboxamide

N-(2-bromo-5-methoxyphenyl)-5-ethylfuran-2-carboxamide (PubChem CID 78989438) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is N-(2-bromo-5-methoxyphenyl)-5-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-methoxyphenyl)-5-ethylfuran-2-carboxamide
PubChem CID78989438
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC NameN-(2-bromo-5-methoxyphenyl)-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2cc(OC)ccc2Br)o1
InChIInChI=1S/C14H14BrNO3/c1-3-9-5-7-13(19-9)14(17)16-12-8-10(18-2)4-6-11(12)15/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyWFQIAJCBSWCSIR-UHFFFAOYSA-N
XLogP3.87
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-bromo-5-methoxyphenyl)furan-2-carboxamide
CID 51130825
N-(2-amino-5-methoxyphenyl)-5-chlorofuran-2-carboxamide
CID 63258039
N-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide
CID 62416430
5-ethyl-N-(4-fluoro-2-methoxyphenyl)furan-2-carboxamide
CID 47170065
N-(4-amino-2-methoxyphenyl)-5-ethylfuran-2-carboxamide
CID 79095434
5-bromo-2-[(5-ethylfuran-2-carbonyl)amino]benzoic acid
CID 62073783
N-(2-amino-5-methylphenyl)-5-ethylfuran-2-carboxamide
CID 112557315
N-(2-bromo-5-methoxyphenyl)pentanamide
CID 62416800
N-(4-amino-3-methoxyphenyl)-5-ethylfuran-2-carboxamide
CID 79094156
3-amino-N-(2-bromo-5-methoxyphenyl)-2,6-difluorobenzamide
CID 79757944
5-ethyl-N-(2-hydroxy-4-methylphenyl)furan-2-carboxamide
CID 112726930
N-(3-bromo-5-methylphenyl)-5-ethylfuran-2-carboxamide
CID 104938590

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methoxyphenyl)-5-ethylfuran-2-carboxamide?
The IUPAC name of N-(2-bromo-5-methoxyphenyl)-5-ethylfuran-2-carboxamide (CID 78989438) is N-(2-bromo-5-methoxyphenyl)-5-ethylfuran-2-carboxamide.
What is the SMILES notation for N-(2-bromo-5-methoxyphenyl)-5-ethylfuran-2-carboxamide?
The canonical SMILES for N-(2-bromo-5-methoxyphenyl)-5-ethylfuran-2-carboxamide is CCc1ccc(C(=O)Nc2cc(OC)ccc2Br)o1.
What is the InChIKey of N-(2-bromo-5-methoxyphenyl)-5-ethylfuran-2-carboxamide?
The InChIKey is WFQIAJCBSWCSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3/c1-3-9-5-7-13(19-9)14(17)16-12-8-10(18-2)4-6-11(12)15/h4-8H,3H2,1-2H3,(H,16,17).
What are the key properties of N-(2-bromo-5-methoxyphenyl)-5-ethylfuran-2-carboxamide?
N-(2-bromo-5-methoxyphenyl)-5-ethylfuran-2-carboxamide has a molecular weight of 324.17 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methoxyphenyl)-5-ethylfuran-2-carboxamide is sourced from PubChem (CID 78989438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).