5-bromo-N-[1-(3,4,5-trimethoxyphenyl)ethyl]furan-2-carboxamide

C16H18BrNO5 — CID 55709298

IUPAC5-bromo-N-[1-(3,4,5-trimethoxyphenyl)ethyl]furan-2-carboxamide
SMILESCOc1cc(C(C)NC(=O)c2ccc(Br)o2)cc(OC)c1OC
InChIInChI=1S/C16H18BrNO5/c1-9(18-16(19)11-5-6-14(17)23-11)10-7-12(20-2)15(22-4)13(8-10)21-3/h5-9H,1-4H3,(H,18,19)
InChIKeyIBRDUTKYFGYVMJ-UHFFFAOYSA-N
MW384.23 g/mol
LogP3.56
Rot. Bonds6

About 5-bromo-N-[1-(3,4,5-trimethoxyphenyl)ethyl]furan-2-carboxamide

5-bromo-N-[1-(3,4,5-trimethoxyphenyl)ethyl]furan-2-carboxamide (PubChem CID 55709298) has the molecular formula C16H18BrNO5 and a molecular weight of 384.23 g/mol. Its IUPAC name is 5-bromo-N-[1-(3,4,5-trimethoxyphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(3,4,5-trimethoxyphenyl)ethyl]furan-2-carboxamide
PubChem CID55709298
Molecular FormulaC16H18BrNO5
Molecular Weight384.23 g/mol
Exact Mass383.04
IUPAC Name5-bromo-N-[1-(3,4,5-trimethoxyphenyl)ethyl]furan-2-carboxamide
SMILESCOc1cc(C(C)NC(=O)c2ccc(Br)o2)cc(OC)c1OC
InChIInChI=1S/C16H18BrNO5/c1-9(18-16(19)11-5-6-14(17)23-11)10-7-12(20-2)15(22-4)13(8-10)21-3/h5-9H,1-4H3,(H,18,19)
InChIKeyIBRDUTKYFGYVMJ-UHFFFAOYSA-N
XLogP3.56
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide
CID 60794862
5-bromo-N-(1-thiophen-3-ylethyl)furan-2-carboxamide
CID 62843541
5-(1,3-benzothiazol-2-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]furan-2-carboxamide
CID 55709407
5-bromo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
CID 8003959
2,4,5-trimethoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55714675
methyl (2S)-2-[(5-bromofuran-2-carbonyl)amino]propanoate
CID 47337332
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]furan-2-carboxamide
CID 47442995
5-chloro-N-[1-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 113221625
N-[1-(3,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 17326429
3-iodo-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 46467235
N-[1-(3-bromophenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 46599431
5-bromo-N-(1-cyanoethyl)furan-2-carboxamide
CID 61119457

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(3,4,5-trimethoxyphenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-(3,4,5-trimethoxyphenyl)ethyl]furan-2-carboxamide (CID 55709298) is 5-bromo-N-[1-(3,4,5-trimethoxyphenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(3,4,5-trimethoxyphenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(3,4,5-trimethoxyphenyl)ethyl]furan-2-carboxamide is COc1cc(C(C)NC(=O)c2ccc(Br)o2)cc(OC)c1OC.
What is the InChIKey of 5-bromo-N-[1-(3,4,5-trimethoxyphenyl)ethyl]furan-2-carboxamide?
The InChIKey is IBRDUTKYFGYVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO5/c1-9(18-16(19)11-5-6-14(17)23-11)10-7-12(20-2)15(22-4)13(8-10)21-3/h5-9H,1-4H3,(H,18,19).
What are the key properties of 5-bromo-N-[1-(3,4,5-trimethoxyphenyl)ethyl]furan-2-carboxamide?
5-bromo-N-[1-(3,4,5-trimethoxyphenyl)ethyl]furan-2-carboxamide has a molecular weight of 384.23 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(3,4,5-trimethoxyphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 55709298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).