N-[2-(4-chlorophenyl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(4-fluorophenyl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-(2-quinolin-5-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide

C80H87ClFN11O8 — CID 159412818

About N-[2-(4-chlorophenyl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(4-fluorophenyl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-(2-quinolin-5-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide

N-[2-(4-chlorophenyl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(4-fluorophenyl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-(2-quinolin-5-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide (PubChem CID 159412818) has the molecular formula C80H87ClFN11O8 and a molecular weight of 1385.10 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(4-fluorophenyl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-(2-quinolin-5-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-chlorophenyl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(4-fluorophenyl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-(2-quinolin-5-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
• PubChem CID: 159412818
• Molecular Formula: C80H87ClFN11O8
• Molecular Weight: 1385.10 g/mol
• Exact Mass: 1383.64
• IUPAC Name: N-[2-(4-chlorophenyl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(4-fluorophenyl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-(2-quinolin-5-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
• SMILES: CC(C)(NC(=O)c1cccc2c1OCCNC2)c1ccc(Cl)cc1.CC(C)(NC(=O)c1cccc2c1OCCNC2)c1ccc(F)cc1.CC(C)(NC(=O)c1cccc2c1OCCNC2)c1cccc2ncccc12.CC(C)(NC(=O)c1cccc2c1OCCNC2)c1ncc2ccccn12
• InChI: InChI=1S/C22H23N3O2.C20H22N4O2.C19H21ClN2O2.C19H21FN2O2/c1-22(2,18-9-4-10-19-16(18)8-5-11-24-19)25-21(26)17-7-3-6-15-14-23-12-13-27-20(15)17;1-20(2,19-22-13-15-7-3-4-10-24(15)19)23-18(25)16-8-5-6-14-12-21-9-11-26-17(14)16;2*1-19(2,14-6-8-15(20)9-7-14)22-18(23)16-5-3-4-13-12-21-10-11-24-17(13)16/h3-11,23H,12-14H2,1-2H3,(H,25,26);3-8,10,13,21H,9,11-12H2,1-2H3,(H,23,25);2*3-9,21H,10-12H2,1-2H3,(H,22,23)
• InChIKey: LOUFYGPITRVIJR-UHFFFAOYSA-N
• XLogP: 12.32
• TPSA: 231.63 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1385.10
LogP ≤ 5	12.32
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(4-fluorophenyl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-(2-quinolin-5-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?

The IUPAC name of N-[2-(4-chlorophenyl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(4-fluorophenyl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-(2-quinolin-5-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide (CID 159412818) is N-[2-(4-chlorophenyl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(4-fluorophenyl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-(2-quinolin-5-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide.

What is the SMILES notation for N-[2-(4-chlorophenyl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(4-fluorophenyl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-(2-quinolin-5-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?

The canonical SMILES for N-[2-(4-chlorophenyl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(4-fluorophenyl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-(2-quinolin-5-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide is CC(C)(NC(=O)c1cccc2c1OCCNC2)c1ccc(Cl)cc1.CC(C)(NC(=O)c1cccc2c1OCCNC2)c1ccc(F)cc1.CC(C)(NC(=O)c1cccc2c1OCCNC2)c1cccc2ncccc12.CC(C)(NC(=O)c1cccc2c1OCCNC2)c1ncc2ccccn12.

What is the InChIKey of N-[2-(4-chlorophenyl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(4-fluorophenyl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-(2-quinolin-5-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?

The InChIKey is LOUFYGPITRVIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2.C20H22N4O2.C19H21ClN2O2.C19H21FN2O2/c1-22(2,18-9-4-10-19-16(18)8-5-11-24-19)25-21(26)17-7-3-6-15-14-23-12-13-27-20(15)17;1-20(2,19-22-13-15-7-3-4-10-24(15)19)23-18(25)16-8-5-6-14-12-21-9-11-26-17(14)16;2*1-19(2,14-6-8-15(20)9-7-14)22-18(23)16-5-3-4-13-12-21-10-11-24-17(13)16/h3-11,23H,12-14H2,1-2H3,(H,25,26);3-8,10,13,21H,9,11-12H2,1-2H3,(H,23,25);2*3-9,21H,10-12H2,1-2H3,(H,22,23).

What are the key properties of N-[2-(4-chlorophenyl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(4-fluorophenyl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-(2-quinolin-5-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?

N-[2-(4-chlorophenyl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(4-fluorophenyl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-(2-quinolin-5-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide has a molecular weight of 1385.10 g/mol, XLogP of 12.32, 12 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-chlorophenyl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(4-fluorophenyl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-(2-quinolin-5-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide is sourced from PubChem (CID 159412818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).