5-chloro-N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide

C25H16Cl2N2O2 — CID 17110541

About 5-chloro-N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide

5-chloro-N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide (PubChem CID 17110541) has the molecular formula C25H16Cl2N2O2 and a molecular weight of 447.32 g/mol. Its IUPAC name is 5-chloro-N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide
• PubChem CID: 17110541
• Molecular Formula: C25H16Cl2N2O2
• Molecular Weight: 447.32 g/mol
• Exact Mass: 446.06
• IUPAC Name: 5-chloro-N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide
• SMILES: Cc1ccc2nc(-c3cc(NC(=O)c4cccc5c(Cl)cccc45)ccc3Cl)oc2c1
• InChI: InChI=1S/C25H16Cl2N2O2/c1-14-8-11-22-23(12-14)31-25(29-22)19-13-15(9-10-21(19)27)28-24(30)18-6-2-5-17-16(18)4-3-7-20(17)26/h2-13H,1H3,(H,28,30)
• InChIKey: CCCWCBGHXAWDLY-UHFFFAOYSA-N
• XLogP: 7.52
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.32
LogP ≤ 5	7.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide?

The IUPAC name of 5-chloro-N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide (CID 17110541) is 5-chloro-N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide.

What is the SMILES notation for 5-chloro-N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide?

The canonical SMILES for 5-chloro-N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide is Cc1ccc2nc(-c3cc(NC(=O)c4cccc5c(Cl)cccc45)ccc3Cl)oc2c1.

What is the InChIKey of 5-chloro-N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide?

The InChIKey is CCCWCBGHXAWDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Cl2N2O2/c1-14-8-11-22-23(12-14)31-25(29-22)19-13-15(9-10-21(19)27)28-24(30)18-6-2-5-17-16(18)4-3-7-20(17)26/h2-13H,1H3,(H,28,30).

What are the key properties of 5-chloro-N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide?

5-chloro-N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide has a molecular weight of 447.32 g/mol, XLogP of 7.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 17110541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).