3-chloro-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4,5-dimethoxybenzamide

C22H21ClN2O5 — CID 55876373

IUPAC3-chloro-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NCc2cccc(C(=O)NCc3ccco3)c2)cc(Cl)c1OC
InChIInChI=1S/C22H21ClN2O5/c1-28-19-11-16(10-18(23)20(19)29-2)22(27)24-12-14-5-3-6-15(9-14)21(26)25-13-17-7-4-8-30-17/h3-11H,12-13H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyVVABMLMBLVEETK-UHFFFAOYSA-N
MW428.87 g/mol
LogP3.81
Rot. Bonds8

About 3-chloro-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4,5-dimethoxybenzamide

3-chloro-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4,5-dimethoxybenzamide (PubChem CID 55876373) has the molecular formula C22H21ClN2O5 and a molecular weight of 428.87 g/mol. Its IUPAC name is 3-chloro-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4,5-dimethoxybenzamide
PubChem CID55876373
Molecular FormulaC22H21ClN2O5
Molecular Weight428.87 g/mol
Exact Mass428.11
IUPAC Name3-chloro-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NCc2cccc(C(=O)NCc3ccco3)c2)cc(Cl)c1OC
InChIInChI=1S/C22H21ClN2O5/c1-28-19-11-16(10-18(23)20(19)29-2)22(27)24-12-14-5-3-6-15(9-14)21(26)25-13-17-7-4-8-30-17/h3-11H,12-13H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyVVABMLMBLVEETK-UHFFFAOYSA-N
XLogP3.81
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.87
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 9081404
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
N-[(3-carbamoylphenyl)methyl]-3,5-dichloro-4-methoxybenzamide
CID 32637003
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 28638324
N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide
CID 2681202
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
N-[(3-carbamoylphenyl)methyl]-3-chloro-5-methoxy-4-propoxybenzamide
CID 33094742
N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide
CID 122147373
3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55847820
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
3-N-(5-chloro-2-methoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054027
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24517194

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4,5-dimethoxybenzamide?
The IUPAC name of 3-chloro-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4,5-dimethoxybenzamide (CID 55876373) is 3-chloro-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4,5-dimethoxybenzamide.
What is the SMILES notation for 3-chloro-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4,5-dimethoxybenzamide?
The canonical SMILES for 3-chloro-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4,5-dimethoxybenzamide is COc1cc(C(=O)NCc2cccc(C(=O)NCc3ccco3)c2)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4,5-dimethoxybenzamide?
The InChIKey is VVABMLMBLVEETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O5/c1-28-19-11-16(10-18(23)20(19)29-2)22(27)24-12-14-5-3-6-15(9-14)21(26)25-13-17-7-4-8-30-17/h3-11H,12-13H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 3-chloro-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4,5-dimethoxybenzamide?
3-chloro-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4,5-dimethoxybenzamide has a molecular weight of 428.87 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4,5-dimethoxybenzamide is sourced from PubChem (CID 55876373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).