4-[(2,5-dichlorophenoxy)methyl]-N-(furan-2-ylmethyl)benzamide

C19H15Cl2NO3 — CID 1012417

IUPAC4-[(2,5-dichlorophenoxy)methyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1ccc(COc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C19H15Cl2NO3/c20-15-7-8-17(21)18(10-15)25-12-13-3-5-14(6-4-13)19(23)22-11-16-2-1-9-24-16/h1-10H,11-12H2,(H,22,23)
InChIKeyXHGMBYMMYAIVTH-UHFFFAOYSA-N
MW376.24 g/mol
LogP5.10
Rot. Bonds6

About 4-[(2,5-dichlorophenoxy)methyl]-N-(furan-2-ylmethyl)benzamide

4-[(2,5-dichlorophenoxy)methyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 1012417) has the molecular formula C19H15Cl2NO3 and a molecular weight of 376.24 g/mol. Its IUPAC name is 4-[(2,5-dichlorophenoxy)methyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(2,5-dichlorophenoxy)methyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID1012417
Molecular FormulaC19H15Cl2NO3
Molecular Weight376.24 g/mol
Exact Mass375.04
IUPAC Name4-[(2,5-dichlorophenoxy)methyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1ccc(COc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C19H15Cl2NO3/c20-15-7-8-17(21)18(10-15)25-12-13-3-5-14(6-4-13)19(23)22-11-16-2-1-9-24-16/h1-10H,11-12H2,(H,22,23)
InChIKeyXHGMBYMMYAIVTH-UHFFFAOYSA-N
XLogP5.10
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.24
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dichlorophenoxy)methyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-[(2,5-dichlorophenoxy)methyl]-N-(furan-2-ylmethyl)benzamide (CID 1012417) is 4-[(2,5-dichlorophenoxy)methyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(2,5-dichlorophenoxy)methyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(2,5-dichlorophenoxy)methyl]-N-(furan-2-ylmethyl)benzamide is O=C(NCc1ccco1)c1ccc(COc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 4-[(2,5-dichlorophenoxy)methyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is XHGMBYMMYAIVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO3/c20-15-7-8-17(21)18(10-15)25-12-13-3-5-14(6-4-13)19(23)22-11-16-2-1-9-24-16/h1-10H,11-12H2,(H,22,23).
What are the key properties of 4-[(2,5-dichlorophenoxy)methyl]-N-(furan-2-ylmethyl)benzamide?
4-[(2,5-dichlorophenoxy)methyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 376.24 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dichlorophenoxy)methyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 1012417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).