4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)benzamide

C19H16ClNO3 — CID 1223133

IUPAC4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1ccc(COc2ccccc2Cl)cc1
InChIInChI=1S/C19H16ClNO3/c20-17-5-1-2-6-18(17)24-13-14-7-9-15(10-8-14)19(22)21-12-16-4-3-11-23-16/h1-11H,12-13H2,(H,21,22)
InChIKeyGMHFHOUWPXKOMV-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.44
Rot. Bonds6

About 4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)benzamide

4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 1223133) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is 4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID1223133
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Name4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1ccc(COc2ccccc2Cl)cc1
InChIInChI=1S/C19H16ClNO3/c20-17-5-1-2-6-18(17)24-13-14-7-9-15(10-8-14)19(22)21-12-16-4-3-11-23-16/h1-11H,12-13H2,(H,21,22)
InChIKeyGMHFHOUWPXKOMV-UHFFFAOYSA-N
XLogP4.44
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)benzamide (CID 1223133) is 4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)benzamide is O=C(NCc1ccco1)c1ccc(COc2ccccc2Cl)cc1.
What is the InChIKey of 4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is GMHFHOUWPXKOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c20-17-5-1-2-6-18(17)24-13-14-7-9-15(10-8-14)19(22)21-12-16-4-3-11-23-16/h1-11H,12-13H2,(H,21,22).
What are the key properties of 4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)benzamide?
4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 341.79 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 1223133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).