5-[(2-bromophenoxy)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide

C19H16BrNO4 — CID 1012463

IUPAC5-[(2-bromophenoxy)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(COc2ccccc2Br)o1
InChIInChI=1S/C19H16BrNO4/c1-23-17-9-5-3-7-15(17)21-19(22)18-11-10-13(25-18)12-24-16-8-4-2-6-14(16)20/h2-11H,12H2,1H3,(H,21,22)
InChIKeyLPISMTVHYUDQRA-UHFFFAOYSA-N
MW402.24 g/mol
LogP4.88
Rot. Bonds6

About 5-[(2-bromophenoxy)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide

5-[(2-bromophenoxy)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide (PubChem CID 1012463) has the molecular formula C19H16BrNO4 and a molecular weight of 402.24 g/mol. Its IUPAC name is 5-[(2-bromophenoxy)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-bromophenoxy)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide
PubChem CID1012463
Molecular FormulaC19H16BrNO4
Molecular Weight402.24 g/mol
Exact Mass401.03
IUPAC Name5-[(2-bromophenoxy)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(COc2ccccc2Br)o1
InChIInChI=1S/C19H16BrNO4/c1-23-17-9-5-3-7-15(17)21-19(22)18-11-10-13(25-18)12-24-16-8-4-2-6-14(16)20/h2-11H,12H2,1H3,(H,21,22)
InChIKeyLPISMTVHYUDQRA-UHFFFAOYSA-N
XLogP4.88
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.24
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-bromophenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 19448612
N-(2-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 35529212
N-(4-acetamidophenyl)-5-[(2-bromophenoxy)methyl]furan-2-carboxamide
CID 1002606
5-[(2-bromophenoxy)methyl]-N-quinolin-8-ylfuran-2-carboxamide
CID 35325335
4-[[5-[(2-bromophenoxy)methyl]furan-2-carbonyl]amino]-1-methylpyrazole-5-carboxylic acid
CID 19406021
5-[(2-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
CID 1235920
5-[(2-methylphenoxy)methyl]-N-(2-methylphenyl)furan-2-carboxamide
CID 6460539
N-(2,4-dichlorophenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 51781977
5-[(2-bromophenoxy)methyl]-N-(2-hydroxy-4-nitrophenyl)furan-2-carboxamide
CID 19450414
5-[(2-bromophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide
CID 19450342
5-[(2-bromophenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide
CID 19450276
5-[(2-bromophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)furan-2-carboxamide
CID 95744847

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenoxy)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide?
The IUPAC name of 5-[(2-bromophenoxy)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide (CID 1012463) is 5-[(2-bromophenoxy)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-bromophenoxy)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-bromophenoxy)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide is COc1ccccc1NC(=O)c1ccc(COc2ccccc2Br)o1.
What is the InChIKey of 5-[(2-bromophenoxy)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide?
The InChIKey is LPISMTVHYUDQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO4/c1-23-17-9-5-3-7-15(17)21-19(22)18-11-10-13(25-18)12-24-16-8-4-2-6-14(16)20/h2-11H,12H2,1H3,(H,21,22).
What are the key properties of 5-[(2-bromophenoxy)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide?
5-[(2-bromophenoxy)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide has a molecular weight of 402.24 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenoxy)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 1012463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).