5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzamide

C13H12ClNO3 — CID 879551

IUPAC5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1ccco1
InChIInChI=1S/C13H12ClNO3/c1-17-12-5-4-9(14)7-11(12)13(16)15-8-10-3-2-6-18-10/h2-7H,8H2,1H3,(H,15,16)
InChIKeySDZZHLXLVZFHKQ-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.87
Rot. Bonds4

About 5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzamide

5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzamide (PubChem CID 879551) has the molecular formula C13H12ClNO3 and a molecular weight of 265.70 g/mol. Its IUPAC name is 5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzamide
PubChem CID879551
Molecular FormulaC13H12ClNO3
Molecular Weight265.70 g/mol
Exact Mass265.05
IUPAC Name5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1ccco1
InChIInChI=1S/C13H12ClNO3/c1-17-12-5-4-9(14)7-11(12)13(16)15-8-10-3-2-6-18-10/h2-7H,8H2,1H3,(H,15,16)
InChIKeySDZZHLXLVZFHKQ-UHFFFAOYSA-N
XLogP2.87
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzamide (CID 879551) is 5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCc1ccco1.
What is the InChIKey of 5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzamide?
The InChIKey is SDZZHLXLVZFHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3/c1-17-12-5-4-9(14)7-11(12)13(16)15-8-10-3-2-6-18-10/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of 5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzamide?
5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzamide has a molecular weight of 265.70 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzamide is sourced from PubChem (CID 879551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).