3-[2-(4-chlorophenoxy)ethyl]-6-fluoro-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;1-[2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl]-2-hydroxyethanone;3-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-6-fluoro-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;6-fluoro-N-hydroxy-3-[(3-methoxyphenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide

C82H86Cl2F3N9O11S — CID 158280672

About 3-[2-(4-chlorophenoxy)ethyl]-6-fluoro-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;1-[2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl]-2-hydroxyethanone;3-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-6-fluoro-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;6-fluoro-N-hydroxy-3-[(3-methoxyphenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide

3-[2-(4-chlorophenoxy)ethyl]-6-fluoro-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;1-[2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl]-2-hydroxyethanone;3-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-6-fluoro-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;6-fluoro-N-hydroxy-3-[(3-methoxyphenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide (PubChem CID 158280672) has the molecular formula C82H86Cl2F3N9O11S and a molecular weight of 1533.61 g/mol. Its IUPAC name is 3-[2-(4-chlorophenoxy)ethyl]-6-fluoro-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;1-[2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl]-2-hydroxyethanone;3-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-6-fluoro-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;6-fluoro-N-hydroxy-3-[(3-methoxyphenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide.

Molecular Properties

• Compound Name: 3-[2-(4-chlorophenoxy)ethyl]-6-fluoro-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;1-[2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl]-2-hydroxyethanone;3-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-6-fluoro-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;6-fluoro-N-hydroxy-3-[(3-methoxyphenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide
• PubChem CID: 158280672
• Molecular Formula: C82H86Cl2F3N9O11S
• Molecular Weight: 1533.61 g/mol
• Exact Mass: 1531.55
• IUPAC Name: 3-[2-(4-chlorophenoxy)ethyl]-6-fluoro-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;1-[2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl]-2-hydroxyethanone;3-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-6-fluoro-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;6-fluoro-N-hydroxy-3-[(3-methoxyphenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide
• SMILES: CC1(C)CN(c2nc(-c3cccc(Cl)c3)cs2)Cc2ccc(C(=O)CO)cc21.COc1cccc(CN2CCc3cc(C(=O)NO)cc(F)c3CC2)c1.O=C(NO)c1cc(F)c2c(c1)CCN(CCC(=O)N1CCc3ccccc31)CC2.O=C(NO)c1cc(F)c2c(c1)CCN(CCOc1ccc(Cl)cc1)CC2
• InChI: InChI=1S/C22H21ClN2O2S.C22H24FN3O3.C19H20ClFN2O3.C19H21FN2O3/c1-22(2)13-25(10-16-7-6-15(9-18(16)22)20(27)11-26)21-24-19(12-28-21)14-4-3-5-17(23)8-14;23-19-14-17(22(28)24-29)13-16-5-9-25(10-7-18(16)19)11-8-21(27)26-12-6-15-3-1-2-4-20(15)26;20-15-1-3-16(4-2-15)26-10-9-23-7-5-13-11-14(19(24)22-25)12-18(21)17(13)6-8-23;1-25-16-4-2-3-13(9-16)12-22-7-5-14-10-15(19(23)21-24)11-18(20)17(14)6-8-22/h3-9,12,26H,10-11,13H2,1-2H3;1-4,13-14,29H,5-12H2,(H,24,28);1-4,11-12,25H,5-10H2,(H,22,24);2-4,9-11,24H,5-8,12H2,1H3,(H,21,23)
• InChIKey: GKEBFGJNMWHFOK-UHFFFAOYSA-N
• XLogP: 12.89
• TPSA: 249.91 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 17
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1533.61
LogP ≤ 5	12.89
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenoxy)ethyl]-6-fluoro-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;1-[2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl]-2-hydroxyethanone;3-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-6-fluoro-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;6-fluoro-N-hydroxy-3-[(3-methoxyphenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide?

The IUPAC name of 3-[2-(4-chlorophenoxy)ethyl]-6-fluoro-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;1-[2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl]-2-hydroxyethanone;3-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-6-fluoro-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;6-fluoro-N-hydroxy-3-[(3-methoxyphenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide (CID 158280672) is 3-[2-(4-chlorophenoxy)ethyl]-6-fluoro-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;1-[2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl]-2-hydroxyethanone;3-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-6-fluoro-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;6-fluoro-N-hydroxy-3-[(3-methoxyphenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide.

What is the SMILES notation for 3-[2-(4-chlorophenoxy)ethyl]-6-fluoro-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;1-[2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl]-2-hydroxyethanone;3-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-6-fluoro-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;6-fluoro-N-hydroxy-3-[(3-methoxyphenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide?

The canonical SMILES for 3-[2-(4-chlorophenoxy)ethyl]-6-fluoro-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;1-[2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl]-2-hydroxyethanone;3-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-6-fluoro-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;6-fluoro-N-hydroxy-3-[(3-methoxyphenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide is CC1(C)CN(c2nc(-c3cccc(Cl)c3)cs2)Cc2ccc(C(=O)CO)cc21.COc1cccc(CN2CCc3cc(C(=O)NO)cc(F)c3CC2)c1.O=C(NO)c1cc(F)c2c(c1)CCN(CCC(=O)N1CCc3ccccc31)CC2.O=C(NO)c1cc(F)c2c(c1)CCN(CCOc1ccc(Cl)cc1)CC2.

What is the InChIKey of 3-[2-(4-chlorophenoxy)ethyl]-6-fluoro-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;1-[2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl]-2-hydroxyethanone;3-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-6-fluoro-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;6-fluoro-N-hydroxy-3-[(3-methoxyphenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide?

The InChIKey is GKEBFGJNMWHFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2S.C22H24FN3O3.C19H20ClFN2O3.C19H21FN2O3/c1-22(2)13-25(10-16-7-6-15(9-18(16)22)20(27)11-26)21-24-19(12-28-21)14-4-3-5-17(23)8-14;23-19-14-17(22(28)24-29)13-16-5-9-25(10-7-18(16)19)11-8-21(27)26-12-6-15-3-1-2-4-20(15)26;20-15-1-3-16(4-2-15)26-10-9-23-7-5-13-11-14(19(24)22-25)12-18(21)17(13)6-8-23;1-25-16-4-2-3-13(9-16)12-22-7-5-14-10-15(19(23)21-24)11-18(20)17(14)6-8-22/h3-9,12,26H,10-11,13H2,1-2H3;1-4,13-14,29H,5-12H2,(H,24,28);1-4,11-12,25H,5-10H2,(H,22,24);2-4,9-11,24H,5-8,12H2,1H3,(H,21,23).

What are the key properties of 3-[2-(4-chlorophenoxy)ethyl]-6-fluoro-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;1-[2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl]-2-hydroxyethanone;3-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-6-fluoro-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;6-fluoro-N-hydroxy-3-[(3-methoxyphenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide?

3-[2-(4-chlorophenoxy)ethyl]-6-fluoro-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;1-[2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl]-2-hydroxyethanone;3-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-6-fluoro-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;6-fluoro-N-hydroxy-3-[(3-methoxyphenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide has a molecular weight of 1533.61 g/mol, XLogP of 12.89, 17 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(4-chlorophenoxy)ethyl]-6-fluoro-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;1-[2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4,4-dimethyl-1,3-dihydroisoquinolin-6-yl]-2-hydroxyethanone;3-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-6-fluoro-N-hydroxy-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide;6-fluoro-N-hydroxy-3-[(3-methoxyphenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide is sourced from PubChem (CID 158280672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).