2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide

C16H18BrNO4 — CID 9482211

IUPAC2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
SMILESCOc1cc(Br)c(CC(=O)N[C@H](C)c2ccco2)cc1OC
InChIInChI=1S/C16H18BrNO4/c1-10(13-5-4-6-22-13)18-16(19)8-11-7-14(20-2)15(21-3)9-12(11)17/h4-7,9-10H,8H2,1-3H3,(H,18,19)/t10-/m1/s1
InChIKeyMTYVXAFOTRCGGG-SNVBAGLBSA-N
MW368.23 g/mol
LogP3.48
Rot. Bonds6

About 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide

2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide (PubChem CID 9482211) has the molecular formula C16H18BrNO4 and a molecular weight of 368.23 g/mol. Its IUPAC name is 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
PubChem CID9482211
Molecular FormulaC16H18BrNO4
Molecular Weight368.23 g/mol
Exact Mass367.04
IUPAC Name2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
SMILESCOc1cc(Br)c(CC(=O)N[C@H](C)c2ccco2)cc1OC
InChIInChI=1S/C16H18BrNO4/c1-10(13-5-4-6-22-13)18-16(19)8-11-7-14(20-2)15(21-3)9-12(11)17/h4-7,9-10H,8H2,1-3H3,(H,18,19)/t10-/m1/s1
InChIKeyMTYVXAFOTRCGGG-SNVBAGLBSA-N
XLogP3.48
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403898
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-bromo-4,5-dimethoxyphenyl)acetamide
CID 9368689
N-[1-(furan-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 18116881
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9263899
N-[(1S)-1-(furan-2-yl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 40790081
[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 9200472
2-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 8856625
2-bromo-4-[[1-(furan-2-yl)ethylamino]methyl]-6-methoxyphenol
CID 43400285
2-(3-bromophenoxy)-N-[1-(furan-2-yl)ethyl]acetamide
CID 18196815
N-[1-(furan-2-yl)ethyl]-3-methoxynaphthalene-2-carboxamide
CID 18116872
methyl 3-bromo-4-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]benzoate
CID 102766785
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2R)-2-phenylpropyl]acetamide
CID 9427335

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide?
The IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide (CID 9482211) is 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide is COc1cc(Br)c(CC(=O)N[C@H](C)c2ccco2)cc1OC.
What is the InChIKey of 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide?
The InChIKey is MTYVXAFOTRCGGG-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H18BrNO4/c1-10(13-5-4-6-22-13)18-16(19)8-11-7-14(20-2)15(21-3)9-12(11)17/h4-7,9-10H,8H2,1-3H3,(H,18,19)/t10-/m1/s1.
What are the key properties of 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide?
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide has a molecular weight of 368.23 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 9482211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).