3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide

C23H23ClN2O6 — CID 4781645

IUPAC3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
SMILESCOc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C23H23ClN2O6/c1-29-19-9-5-4-8-18(19)25-21(27)14-26(13-16-7-6-10-32-16)23(28)15-11-17(24)22(31-3)20(12-15)30-2/h4-12H,13-14H2,1-3H3,(H,25,27)
InChIKeyUIDQGUCHHUDCLJ-UHFFFAOYSA-N
MW458.90 g/mol
LogP4.24
Rot. Bonds9

About 3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide

3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide (PubChem CID 4781645) has the molecular formula C23H23ClN2O6 and a molecular weight of 458.90 g/mol. Its IUPAC name is 3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
PubChem CID4781645
Molecular FormulaC23H23ClN2O6
Molecular Weight458.90 g/mol
Exact Mass458.12
IUPAC Name3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
SMILESCOc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1cc(Cl)c(OC)c(OC)c1
InChIInChI=1S/C23H23ClN2O6/c1-29-19-9-5-4-8-18(19)25-21(27)14-26(13-16-7-6-10-32-16)23(28)15-11-17(24)22(31-3)20(12-15)30-2/h4-12H,13-14H2,1-3H3,(H,25,27)
InChIKeyUIDQGUCHHUDCLJ-UHFFFAOYSA-N
XLogP4.24
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.90
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]carbamate
CID 9438034
3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 27719528
N-[2-[furan-2-ylmethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 9438050
4-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
CID 2604003
2-[[2-(2-fluorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 8501196
N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 121084710
methyl 3-[[2-[acetyl(furan-2-ylmethyl)amino]acetyl]amino]-4-chlorobenzoate
CID 113161111
3-chloro-N-(furan-2-ylmethyl)-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
CID 55334280
N-[2-(2-bromoanilino)-2-oxoethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 4779798
3-chloro-4,5-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 26730465
3,4-dichloro-N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3663549
N-ethyl-3-methoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-methylbenzamide
CID 46563290

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide (CID 4781645) is 3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide is COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1cc(Cl)c(OC)c(OC)c1.
What is the InChIKey of 3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide?
The InChIKey is UIDQGUCHHUDCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O6/c1-29-19-9-5-4-8-18(19)25-21(27)14-26(13-16-7-6-10-32-16)23(28)15-11-17(24)22(31-3)20(12-15)30-2/h4-12H,13-14H2,1-3H3,(H,25,27).
What are the key properties of 3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide?
3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide has a molecular weight of 458.90 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 4781645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).