4-bromo-3,5-dimethoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide

C20H25BrN2O5 — CID 24643793

IUPAC4-bromo-3,5-dimethoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
SMILESCOc1cc(C(=O)NCC(c2ccc(C)o2)N2CCOCC2)cc(OC)c1Br
InChIInChI=1S/C20H25BrN2O5/c1-13-4-5-16(28-13)15(23-6-8-27-9-7-23)12-22-20(24)14-10-17(25-2)19(21)18(11-14)26-3/h4-5,10-11,15H,6-9,12H2,1-3H3,(H,22,24)
InChIKeyCVRYSWYBFPJGNN-UHFFFAOYSA-N
MW453.33 g/mol
LogP3.17
Rot. Bonds7

About 4-bromo-3,5-dimethoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide

4-bromo-3,5-dimethoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide (PubChem CID 24643793) has the molecular formula C20H25BrN2O5 and a molecular weight of 453.33 g/mol. Its IUPAC name is 4-bromo-3,5-dimethoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name4-bromo-3,5-dimethoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
PubChem CID24643793
Molecular FormulaC20H25BrN2O5
Molecular Weight453.33 g/mol
Exact Mass452.09
IUPAC Name4-bromo-3,5-dimethoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
SMILESCOc1cc(C(=O)NCC(c2ccc(C)o2)N2CCOCC2)cc(OC)c1Br
InChIInChI=1S/C20H25BrN2O5/c1-13-4-5-16(28-13)15(23-6-8-27-9-7-23)12-22-20(24)14-10-17(25-2)19(21)18(11-14)26-3/h4-5,10-11,15H,6-9,12H2,1-3H3,(H,22,24)
InChIKeyCVRYSWYBFPJGNN-UHFFFAOYSA-N
XLogP3.17
TPSA73.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 24643768
5-bromo-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-carboxamide
CID 42895264
3,5-diacetamido-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 26010903
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 25402275
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18164168
2-(5-chloro-2-methoxyphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 24643794
4-(methoxysulfamoyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 55821677
2-fluoro-4-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 32707160
2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]furan-3-carboxamide
CID 18164174
4-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 26834639
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(2-phenylethynyl)benzamide
CID 24643832
4-methoxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 146052593

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide?
The IUPAC name of 4-bromo-3,5-dimethoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide (CID 24643793) is 4-bromo-3,5-dimethoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide.
What is the SMILES notation for 4-bromo-3,5-dimethoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide?
The canonical SMILES for 4-bromo-3,5-dimethoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide is COc1cc(C(=O)NCC(c2ccc(C)o2)N2CCOCC2)cc(OC)c1Br.
What is the InChIKey of 4-bromo-3,5-dimethoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide?
The InChIKey is CVRYSWYBFPJGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O5/c1-13-4-5-16(28-13)15(23-6-8-27-9-7-23)12-22-20(24)14-10-17(25-2)19(21)18(11-14)26-3/h4-5,10-11,15H,6-9,12H2,1-3H3,(H,22,24).
What are the key properties of 4-bromo-3,5-dimethoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide?
4-bromo-3,5-dimethoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide has a molecular weight of 453.33 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide is sourced from PubChem (CID 24643793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).