4-bromo-3-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide

C26H19BrN2O4 — CID 17116899

About 4-bromo-3-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide

4-bromo-3-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide (PubChem CID 17116899) has the molecular formula C26H19BrN2O4 and a molecular weight of 503.35 g/mol. Its IUPAC name is 4-bromo-3-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: 4-bromo-3-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
• PubChem CID: 17116899
• Molecular Formula: C26H19BrN2O4
• Molecular Weight: 503.35 g/mol
• Exact Mass: 502.05
• IUPAC Name: 4-bromo-3-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
• SMILES: COc1ccc2oc(-c3ccc(NC(=O)c4cc5ccccc5c(Br)c4OC)cc3)nc2c1
• InChI: InChI=1S/C26H19BrN2O4/c1-31-18-11-12-22-21(14-18)29-26(33-22)15-7-9-17(10-8-15)28-25(30)20-13-16-5-3-4-6-19(16)23(27)24(20)32-2/h3-14H,1-2H3,(H,28,30)
• InChIKey: BUZFEWHOZIAFKV-UHFFFAOYSA-N
• XLogP: 6.68
• TPSA: 73.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.35
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide?

The IUPAC name of 4-bromo-3-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide (CID 17116899) is 4-bromo-3-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide.

What is the SMILES notation for 4-bromo-3-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide?

The canonical SMILES for 4-bromo-3-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide is COc1ccc2oc(-c3ccc(NC(=O)c4cc5ccccc5c(Br)c4OC)cc3)nc2c1.

What is the InChIKey of 4-bromo-3-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide?

The InChIKey is BUZFEWHOZIAFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19BrN2O4/c1-31-18-11-12-22-21(14-18)29-26(33-22)15-7-9-17(10-8-15)28-25(30)20-13-16-5-3-4-6-19(16)23(27)24(20)32-2/h3-14H,1-2H3,(H,28,30).

What are the key properties of 4-bromo-3-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide?

4-bromo-3-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide has a molecular weight of 503.35 g/mol, XLogP of 6.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-3-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 17116899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).