2-(4-bromophenoxy)-N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide

C22H15BrCl2N2O3 — CID 54858701

About 2-(4-bromophenoxy)-N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide

2-(4-bromophenoxy)-N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide (PubChem CID 54858701) has the molecular formula C22H15BrCl2N2O3 and a molecular weight of 506.18 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-bromophenoxy)-N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
• PubChem CID: 54858701
• Molecular Formula: C22H15BrCl2N2O3
• Molecular Weight: 506.18 g/mol
• Exact Mass: 503.96
• IUPAC Name: 2-(4-bromophenoxy)-N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
• SMILES: O=C(COc1ccc(Br)cc1)Nc1ccc(Cc2nc3cc(Cl)cc(Cl)c3o2)cc1
• InChI: InChI=1S/C22H15BrCl2N2O3/c23-14-3-7-17(8-4-14)29-12-20(28)26-16-5-1-13(2-6-16)9-21-27-19-11-15(24)10-18(25)22(19)30-21/h1-8,10-11H,9,12H2,(H,26,28)
• InChIKey: ZRCADQPDMHQPRA-UHFFFAOYSA-N
• XLogP: 6.51
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.18
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide?

The IUPAC name of 2-(4-bromophenoxy)-N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide (CID 54858701) is 2-(4-bromophenoxy)-N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide.

What is the SMILES notation for 2-(4-bromophenoxy)-N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide?

The canonical SMILES for 2-(4-bromophenoxy)-N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide is O=C(COc1ccc(Br)cc1)Nc1ccc(Cc2nc3cc(Cl)cc(Cl)c3o2)cc1.

What is the InChIKey of 2-(4-bromophenoxy)-N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide?

The InChIKey is ZRCADQPDMHQPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrCl2N2O3/c23-14-3-7-17(8-4-14)29-12-20(28)26-16-5-1-13(2-6-16)9-21-27-19-11-15(24)10-18(25)22(19)30-21/h1-8,10-11H,9,12H2,(H,26,28).

What are the key properties of 2-(4-bromophenoxy)-N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide?

2-(4-bromophenoxy)-N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide has a molecular weight of 506.18 g/mol, XLogP of 6.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromophenoxy)-N-[4-[(5,7-dichloro-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 54858701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).