3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide

C15H16ClNO4 — CID 27719528

IUPAC3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)Cc2ccco2)cc(Cl)c1OC
InChIInChI=1S/C15H16ClNO4/c1-17(9-11-5-4-6-21-11)15(18)10-7-12(16)14(20-3)13(8-10)19-2/h4-8H,9H2,1-3H3
InChIKeyBSXXYQTYBNFJNG-UHFFFAOYSA-N
MW309.75 g/mol
LogP3.22
Rot. Bonds5

About 3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide

3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide (PubChem CID 27719528) has the molecular formula C15H16ClNO4 and a molecular weight of 309.75 g/mol. Its IUPAC name is 3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
PubChem CID27719528
Molecular FormulaC15H16ClNO4
Molecular Weight309.75 g/mol
Exact Mass309.08
IUPAC Name3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)Cc2ccco2)cc(Cl)c1OC
InChIInChI=1S/C15H16ClNO4/c1-17(9-11-5-4-6-21-11)15(18)10-7-12(16)14(20-3)13(8-10)19-2/h4-8H,9H2,1-3H3
InChIKeyBSXXYQTYBNFJNG-UHFFFAOYSA-N
XLogP3.22
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(furan-2-ylmethyl)-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
CID 55334280
N-(furan-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide
CID 31288728
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 18111968
3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
CID 4781645
3-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 34889742
3-chloro-4,5-dimethoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 18110375
2-amino-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 43526528
3-chloro-4,5-dimethoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 55549890
3-chloro-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4,5-dimethoxybenzamide
CID 55876373
N-(furan-2-ylmethyl)-N-methyl-4-propan-2-yloxy-1-benzofuran-6-carboxamide
CID 71688772
3-chloro-N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 112790252
3-chloro-N-(1H-imidazol-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 63928489

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide?
The IUPAC name of 3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide (CID 27719528) is 3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide?
The canonical SMILES for 3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide is COc1cc(C(=O)N(C)Cc2ccco2)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide?
The InChIKey is BSXXYQTYBNFJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO4/c1-17(9-11-5-4-6-21-11)15(18)10-7-12(16)14(20-3)13(8-10)19-2/h4-8H,9H2,1-3H3.
What are the key properties of 3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide?
3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide has a molecular weight of 309.75 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 27719528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).