5-bromo-N-[(2-methoxy-4,5-dimethylphenyl)methyl]furan-2-carboxamide

C15H16BrNO3 — CID 110793657

IUPAC5-bromo-N-[(2-methoxy-4,5-dimethylphenyl)methyl]furan-2-carboxamide
SMILESCOc1cc(C)c(C)cc1CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C15H16BrNO3/c1-9-6-11(13(19-3)7-10(9)2)8-17-15(18)12-4-5-14(16)20-12/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeyLPYWDNZQZPICDI-UHFFFAOYSA-N
MW338.20 g/mol
LogP3.60
Rot. Bonds4

About 5-bromo-N-[(2-methoxy-4,5-dimethylphenyl)methyl]furan-2-carboxamide

5-bromo-N-[(2-methoxy-4,5-dimethylphenyl)methyl]furan-2-carboxamide (PubChem CID 110793657) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is 5-bromo-N-[(2-methoxy-4,5-dimethylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2-methoxy-4,5-dimethylphenyl)methyl]furan-2-carboxamide
PubChem CID110793657
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Name5-bromo-N-[(2-methoxy-4,5-dimethylphenyl)methyl]furan-2-carboxamide
SMILESCOc1cc(C)c(C)cc1CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C15H16BrNO3/c1-9-6-11(13(19-3)7-10(9)2)8-17-15(18)12-4-5-14(16)20-12/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeyLPYWDNZQZPICDI-UHFFFAOYSA-N
XLogP3.60
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(2-methoxy-5-methylphenyl)methyl]furan-2-carboxamide
CID 32858696
5-bromo-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 27839121
5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]furan-2-carboxamide
CID 110795131
5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 2539105
5-bromo-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide
CID 110795187
N-[(3-amino-2-methylphenyl)methyl]-5-bromofuran-2-carboxamide
CID 103109774
5-bromo-N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46488649
5-bromo-N-[2-(2-methoxyphenoxy)ethyl]furan-2-carboxamide
CID 51157250
N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]furan-2-carboxamide
CID 110781838
(5-bromofuran-2-yl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 82095027
1-[(2-methoxy-4,5-dimethylphenyl)methyl]-3-methylurea
CID 115169112
5-chloro-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 32739421

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-methoxy-4,5-dimethylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2-methoxy-4,5-dimethylphenyl)methyl]furan-2-carboxamide (CID 110793657) is 5-bromo-N-[(2-methoxy-4,5-dimethylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2-methoxy-4,5-dimethylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2-methoxy-4,5-dimethylphenyl)methyl]furan-2-carboxamide is COc1cc(C)c(C)cc1CNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[(2-methoxy-4,5-dimethylphenyl)methyl]furan-2-carboxamide?
The InChIKey is LPYWDNZQZPICDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c1-9-6-11(13(19-3)7-10(9)2)8-17-15(18)12-4-5-14(16)20-12/h4-7H,8H2,1-3H3,(H,17,18).
What are the key properties of 5-bromo-N-[(2-methoxy-4,5-dimethylphenyl)methyl]furan-2-carboxamide?
5-bromo-N-[(2-methoxy-4,5-dimethylphenyl)methyl]furan-2-carboxamide has a molecular weight of 338.20 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-methoxy-4,5-dimethylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 110793657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).