3-bromo-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]-5-methoxybenzamide

C17H20BrNO4 — CID 55614668

IUPAC3-bromo-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]-5-methoxybenzamide
SMILESCCOc1c(Br)cc(C(=O)NC(C)Cc2ccco2)cc1OC
InChIInChI=1S/C17H20BrNO4/c1-4-22-16-14(18)9-12(10-15(16)21-3)17(20)19-11(2)8-13-6-5-7-23-13/h5-7,9-11H,4,8H2,1-3H3,(H,19,20)
InChIKeyNTYLZKDUQSRLEU-UHFFFAOYSA-N
MW382.25 g/mol
LogP3.81
Rot. Bonds7

About 3-bromo-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]-5-methoxybenzamide

3-bromo-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]-5-methoxybenzamide (PubChem CID 55614668) has the molecular formula C17H20BrNO4 and a molecular weight of 382.25 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]-5-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]-5-methoxybenzamide
PubChem CID55614668
Molecular FormulaC17H20BrNO4
Molecular Weight382.25 g/mol
Exact Mass381.06
IUPAC Name3-bromo-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]-5-methoxybenzamide
SMILESCCOc1c(Br)cc(C(=O)NC(C)Cc2ccco2)cc1OC
InChIInChI=1S/C17H20BrNO4/c1-4-22-16-14(18)9-12(10-15(16)21-3)17(20)19-11(2)8-13-6-5-7-23-13/h5-7,9-11H,4,8H2,1-3H3,(H,19,20)
InChIKeyNTYLZKDUQSRLEU-UHFFFAOYSA-N
XLogP3.81
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 61126328
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate
CID 7456674
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
N-[1-(furan-2-yl)propan-2-yl]-4-iodobenzamide
CID 47168762
3-bromo-4-ethoxy-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 55715764
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[1-(furan-2-yl)propan-2-yl]acetamide
CID 55672328
4-(bromomethyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 113241873
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate
CID 35863456
3-bromo-5-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
CID 40896926
4-carbamothioyl-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 61470814
N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)benzamide
CID 4253008
N-(2-amino-2-phenylethyl)-3-bromo-4-ethoxy-5-methoxybenzamide
CID 119527394

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]-5-methoxybenzamide?
The IUPAC name of 3-bromo-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]-5-methoxybenzamide (CID 55614668) is 3-bromo-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]-5-methoxybenzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]-5-methoxybenzamide?
The canonical SMILES for 3-bromo-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]-5-methoxybenzamide is CCOc1c(Br)cc(C(=O)NC(C)Cc2ccco2)cc1OC.
What is the InChIKey of 3-bromo-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]-5-methoxybenzamide?
The InChIKey is NTYLZKDUQSRLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO4/c1-4-22-16-14(18)9-12(10-15(16)21-3)17(20)19-11(2)8-13-6-5-7-23-13/h5-7,9-11H,4,8H2,1-3H3,(H,19,20).
What are the key properties of 3-bromo-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]-5-methoxybenzamide?
3-bromo-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]-5-methoxybenzamide has a molecular weight of 382.25 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]-5-methoxybenzamide is sourced from PubChem (CID 55614668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).