3,5-dichloro-N-(furan-2-ylmethyl)-4-methoxybenzamide

C13H11Cl2NO3 — CID 881885

IUPAC3,5-dichloro-N-(furan-2-ylmethyl)-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)NCc2ccco2)cc1Cl
InChIInChI=1S/C13H11Cl2NO3/c1-18-12-10(14)5-8(6-11(12)15)13(17)16-7-9-3-2-4-19-9/h2-6H,7H2,1H3,(H,16,17)
InChIKeyMKNNBISXCGHDOC-UHFFFAOYSA-N
MW300.14 g/mol
LogP3.53
Rot. Bonds4

About 3,5-dichloro-N-(furan-2-ylmethyl)-4-methoxybenzamide

3,5-dichloro-N-(furan-2-ylmethyl)-4-methoxybenzamide (PubChem CID 881885) has the molecular formula C13H11Cl2NO3 and a molecular weight of 300.14 g/mol. Its IUPAC name is 3,5-dichloro-N-(furan-2-ylmethyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(furan-2-ylmethyl)-4-methoxybenzamide
PubChem CID881885
Molecular FormulaC13H11Cl2NO3
Molecular Weight300.14 g/mol
Exact Mass299.01
IUPAC Name3,5-dichloro-N-(furan-2-ylmethyl)-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)NCc2ccco2)cc1Cl
InChIInChI=1S/C13H11Cl2NO3/c1-18-12-10(14)5-8(6-11(12)15)13(17)16-7-9-3-2-4-19-9/h2-6H,7H2,1H3,(H,16,17)
InChIKeyMKNNBISXCGHDOC-UHFFFAOYSA-N
XLogP3.53
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(furan-2-ylmethyl)-4-methoxybenzamide?
The IUPAC name of 3,5-dichloro-N-(furan-2-ylmethyl)-4-methoxybenzamide (CID 881885) is 3,5-dichloro-N-(furan-2-ylmethyl)-4-methoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-(furan-2-ylmethyl)-4-methoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-(furan-2-ylmethyl)-4-methoxybenzamide is COc1c(Cl)cc(C(=O)NCc2ccco2)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-(furan-2-ylmethyl)-4-methoxybenzamide?
The InChIKey is MKNNBISXCGHDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO3/c1-18-12-10(14)5-8(6-11(12)15)13(17)16-7-9-3-2-4-19-9/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of 3,5-dichloro-N-(furan-2-ylmethyl)-4-methoxybenzamide?
3,5-dichloro-N-(furan-2-ylmethyl)-4-methoxybenzamide has a molecular weight of 300.14 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(furan-2-ylmethyl)-4-methoxybenzamide is sourced from PubChem (CID 881885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).