1-(3-bromo-4-methoxyphenyl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone

C16H18BrNO3 — CID 62036819

IUPAC1-(3-bromo-4-methoxyphenyl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone
SMILESCCN(CC(=O)c1ccc(OC)c(Br)c1)Cc1ccco1
InChIInChI=1S/C16H18BrNO3/c1-3-18(10-13-5-4-8-21-13)11-15(19)12-6-7-16(20-2)14(17)9-12/h4-9H,3,10-11H2,1-2H3
InChIKeyPXFAOWANNSRONC-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.76
Rot. Bonds7

About 1-(3-bromo-4-methoxyphenyl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone

1-(3-bromo-4-methoxyphenyl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone (PubChem CID 62036819) has the molecular formula C16H18BrNO3 and a molecular weight of 352.23 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone
PubChem CID62036819
Molecular FormulaC16H18BrNO3
Molecular Weight352.23 g/mol
Exact Mass351.05
IUPAC Name1-(3-bromo-4-methoxyphenyl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone
SMILESCCN(CC(=O)c1ccc(OC)c(Br)c1)Cc1ccco1
InChIInChI=1S/C16H18BrNO3/c1-3-18(10-13-5-4-8-21-13)11-15(19)12-6-7-16(20-2)14(17)9-12/h4-9H,3,10-11H2,1-2H3
InChIKeyPXFAOWANNSRONC-UHFFFAOYSA-N
XLogP3.76
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-bromo-4-methoxyphenyl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone 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

2-[ethyl(furan-2-ylmethyl)amino]-1-(2-methoxyphenyl)ethanone
CID 62037206
2-[ethyl(furan-2-ylmethyl)amino]-1-phenylethanone
CID 62037006
2-[ethyl(furan-2-ylmethyl)amino]-1-(4-ethylphenyl)ethanone
CID 62036997
2-[ethyl(furan-2-ylmethyl)amino]-1-(3-fluorophenyl)ethanone
CID 62037198
3-bromo-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 935458
3-bromo-4-[[ethyl(furan-2-ylmethyl)amino]methyl]benzoic acid
CID 102767130
2-[ethyl(furan-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone
CID 62037203
3-[(3-bromo-4-methoxyphenyl)methyl-(furan-2-ylmethyl)amino]propanoic acid
CID 23996130
1-(2,5-dibromothiophen-3-yl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone
CID 62037184
2-bromo-1-(3-bromo-4-methoxyphenyl)ethanone
CID 2756849
1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one
CID 79395471
2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 14471317

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone (CID 62036819) is 1-(3-bromo-4-methoxyphenyl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone is CCN(CC(=O)c1ccc(OC)c(Br)c1)Cc1ccco1.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone?
The InChIKey is PXFAOWANNSRONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3/c1-3-18(10-13-5-4-8-21-13)11-15(19)12-6-7-16(20-2)14(17)9-12/h4-9H,3,10-11H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone?
1-(3-bromo-4-methoxyphenyl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone has a molecular weight of 352.23 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-2-[ethyl(furan-2-ylmethyl)amino]ethanone is sourced from PubChem (CID 62036819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).