2-chloro-N-[[4-(furan-3-yl)phenyl]methyl]benzamide

C₁₈H₁₄ClNO₂ — CID 119103308

About 2-chloro-N-[[4-(furan-3-yl)phenyl]methyl]benzamide

2-chloro-N-[[4-(furan-3-yl)phenyl]methyl]benzamide (PubChem CID 119103308) has the molecular formula C₁₈H₁₄ClNO₂ and a molecular weight of 311.77 g/mol. Its IUPAC name is 2-chloro-N-[[4-(furan-3-yl)phenyl]methyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[[4-(furan-3-yl)phenyl]methyl]benzamide
• PubChem CID: 119103308
• Molecular Formula: C₁₈H₁₄ClNO₂
• Molecular Weight: 311.77 g/mol
• Exact Mass: 311.07
• IUPAC Name: 2-chloro-N-[[4-(furan-3-yl)phenyl]methyl]benzamide
• SMILES: O=C(NCc1ccc(-c2ccoc2)cc1)c1ccccc1Cl
• InChI: InChI=1S/C18H14ClNO2/c19-17-4-2-1-3-16(17)18(21)20-11-13-5-7-14(8-6-13)15-9-10-22-12-15/h1-10,12H,11H2,(H,20,21)
• InChIKey: IMIJQGZJXSWSID-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 42.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	311.77
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-(furan-3-yl)phenyl]methyl]benzamide?

The IUPAC name of 2-chloro-N-[[4-(furan-3-yl)phenyl]methyl]benzamide (CID 119103308) is 2-chloro-N-[[4-(furan-3-yl)phenyl]methyl]benzamide.

What is the SMILES notation for 2-chloro-N-[[4-(furan-3-yl)phenyl]methyl]benzamide?

The canonical SMILES for 2-chloro-N-[[4-(furan-3-yl)phenyl]methyl]benzamide is O=C(NCc1ccc(-c2ccoc2)cc1)c1ccccc1Cl.

What is the InChIKey of 2-chloro-N-[[4-(furan-3-yl)phenyl]methyl]benzamide?

The InChIKey is IMIJQGZJXSWSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2/c19-17-4-2-1-3-16(17)18(21)20-11-13-5-7-14(8-6-13)15-9-10-22-12-15/h1-10,12H,11H2,(H,20,21).

What are the key properties of 2-chloro-N-[[4-(furan-3-yl)phenyl]methyl]benzamide?

2-chloro-N-[[4-(furan-3-yl)phenyl]methyl]benzamide has a molecular weight of 311.77 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[[4-(furan-3-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 119103308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 119103308 — identifiers, structure, computed properties (public domain)

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