3,4-dichloro-N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide

C23H21Cl2N3O5 — CID 3663549

IUPAC3,4-dichloro-N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(NC(=O)CNC(=O)CN(Cc2ccco2)C(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C23H21Cl2N3O5/c1-32-17-7-5-16(6-8-17)27-21(29)12-26-22(30)14-28(13-18-3-2-10-33-18)23(31)15-4-9-19(24)20(25)11-15/h2-11H,12-14H2,1H3,(H,26,30)(H,27,29)
InChIKeyODSBWKQJBDSZNU-UHFFFAOYSA-N
MW490.34 g/mol
LogP3.99
Rot. Bonds9

About 3,4-dichloro-N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide

3,4-dichloro-N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide (PubChem CID 3663549) has the molecular formula C23H21Cl2N3O5 and a molecular weight of 490.34 g/mol. Its IUPAC name is 3,4-dichloro-N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
PubChem CID3663549
Molecular FormulaC23H21Cl2N3O5
Molecular Weight490.34 g/mol
Exact Mass489.09
IUPAC Name3,4-dichloro-N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(NC(=O)CNC(=O)CN(Cc2ccco2)C(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C23H21Cl2N3O5/c1-32-17-7-5-16(6-8-17)27-21(29)12-26-22(30)14-28(13-18-3-2-10-33-18)23(31)15-4-9-19(24)20(25)11-15/h2-11H,12-14H2,1H3,(H,26,30)(H,27,29)
InChIKeyODSBWKQJBDSZNU-UHFFFAOYSA-N
XLogP3.99
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.34
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,4-dichloro-N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3-phenylpropanamide
CID 4064620
N-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-2-carboxamide
CID 3544918
2-[[2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide
CID 5067624
N-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3904974
N-benzyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4071473
4-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9333882
3,4-dichloro-N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide
CID 1060749
N-(furan-2-ylmethyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 9222820
4-chloro-N-(furan-2-ylmethyl)-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 24542587
N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 46146420
methyl 3-[[2-[acetyl(furan-2-ylmethyl)amino]acetyl]amino]-4-chlorobenzoate
CID 113161111
3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
CID 4781645

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide (CID 3663549) is 3,4-dichloro-N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide is COc1ccc(NC(=O)CNC(=O)CN(Cc2ccco2)C(=O)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 3,4-dichloro-N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is ODSBWKQJBDSZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N3O5/c1-32-17-7-5-16(6-8-17)27-21(29)12-26-22(30)14-28(13-18-3-2-10-33-18)23(31)15-4-9-19(24)20(25)11-15/h2-11H,12-14H2,1H3,(H,26,30)(H,27,29).
What are the key properties of 3,4-dichloro-N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
3,4-dichloro-N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 490.34 g/mol, XLogP of 3.99, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 3663549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).