N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]furan-2-carboxamide

C15H16BrNO4 — CID 2278931

IUPACN-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]furan-2-carboxamide
SMILESCOc1cc(Br)c(CCNC(=O)c2ccco2)cc1OC
InChIInChI=1S/C15H16BrNO4/c1-19-13-8-10(11(16)9-14(13)20-2)5-6-17-15(18)12-4-3-7-21-12/h3-4,7-9H,5-6H2,1-2H3,(H,17,18)
InChIKeyHUOCMIXSRDPXMR-UHFFFAOYSA-N
MW354.20 g/mol
LogP3.03
Rot. Bonds6

About N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]furan-2-carboxamide

N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]furan-2-carboxamide (PubChem CID 2278931) has the molecular formula C15H16BrNO4 and a molecular weight of 354.20 g/mol. Its IUPAC name is N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]furan-2-carboxamide
PubChem CID2278931
Molecular FormulaC15H16BrNO4
Molecular Weight354.20 g/mol
Exact Mass353.03
IUPAC NameN-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]furan-2-carboxamide
SMILESCOc1cc(Br)c(CCNC(=O)c2ccco2)cc1OC
InChIInChI=1S/C15H16BrNO4/c1-19-13-8-10(11(16)9-14(13)20-2)5-6-17-15(18)12-4-3-7-21-12/h3-4,7-9H,5-6H2,1-2H3,(H,17,18)
InChIKeyHUOCMIXSRDPXMR-UHFFFAOYSA-N
XLogP3.03
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-methoxy-4-propylphenoxy)methyl]-N-propylfuran-2-carboxamide
CID 2166253
N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 703899
N-(1,3-benzodioxol-5-ylmethyl)-5-bromofuran-2-carboxamide
CID 728785
(5-bromofuran-2-yl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone
CID 1972867
5-bromo-N-(3-bromo-4-methoxyphenethyl)furan-2-carboxamide
CID 50985851
2-(2-bromo-4-ethylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 893585
N-[(2-bromophenyl)methyl]furan-2-carboxamide
CID 1247476
N-(2-furylmethyl)-2-(4-methoxy-3-propoxyphenyl)acetamide
CID 2202438
2-(2-bromo-4-tert-butylphenoxy)-N-(2-furanylmethyl)acetamide
CID 2202614
N-(2-furylmethyl)-2-(3-methoxy-4-propoxyphenyl)acetamide
CID 2239943
[2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 2364451
[2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 2406810

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]furan-2-carboxamide (CID 2278931) is N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]furan-2-carboxamide is COc1cc(Br)c(CCNC(=O)c2ccco2)cc1OC.
What is the InChIKey of N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]furan-2-carboxamide?
The InChIKey is HUOCMIXSRDPXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO4/c1-19-13-8-10(11(16)9-14(13)20-2)5-6-17-15(18)12-4-3-7-21-12/h3-4,7-9H,5-6H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]furan-2-carboxamide?
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]furan-2-carboxamide has a molecular weight of 354.20 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 2278931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).