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;9-ethoxy-N-hydroxy-2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide;6-fluoro-N-hydroxy-3-[(3-methoxyphenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide

C103H109Cl2F6N11O15S — CID 158627166

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;9-ethoxy-N-hydroxy-2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine-7-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;9-ethoxy-N-hydroxy-2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide;6-fluoro-N-hydroxy-3-[(3-methoxyphenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide (PubChem CID 158627166) has the molecular formula C103H109Cl2F6N11O15S and a molecular weight of 1958.03 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;9-ethoxy-N-hydroxy-2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine-7-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;9-ethoxy-N-hydroxy-2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide;6-fluoro-N-hydroxy-3-[(3-methoxyphenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide
• PubChem CID: 158627166
• Molecular Formula: C103H109Cl2F6N11O15S
• Molecular Weight: 1958.03 g/mol
• Exact Mass: 1955.71
• 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;9-ethoxy-N-hydroxy-2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine-7-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.CCOc1cc(C(=O)NO)cc2c1CN(Cc1cccc(OC(F)(F)F)c1)CCC2.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.C21H23F3N2O4.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;1-2-29-19-11-16(20(27)25-28)10-15-6-4-8-26(13-18(15)19)12-14-5-3-7-17(9-14)30-21(22,23)24;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);3,5,7,9-11,28H,2,4,6,8,12-13H2,1H3,(H,25,27);1-4,11-12,25H,5-10H2,(H,22,24);2-4,9-11,24H,5-8,12H2,1H3,(H,21,23)
• InChIKey: HYSXAHKOAFYYRH-UHFFFAOYSA-N
• XLogP: 16.94
• TPSA: 320.94 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 22
• Rotatable Bonds: 23
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1958.03
LogP ≤ 5	16.94
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	22

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;9-ethoxy-N-hydroxy-2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine-7-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;9-ethoxy-N-hydroxy-2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide;6-fluoro-N-hydroxy-3-[(3-methoxyphenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide (CID 158627166) 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;9-ethoxy-N-hydroxy-2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine-7-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;9-ethoxy-N-hydroxy-2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine-7-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;9-ethoxy-N-hydroxy-2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine-7-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.CCOc1cc(C(=O)NO)cc2c1CN(Cc1cccc(OC(F)(F)F)c1)CCC2.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;9-ethoxy-N-hydroxy-2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide;6-fluoro-N-hydroxy-3-[(3-methoxyphenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide?

The InChIKey is HYSXAHKOAFYYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2S.C22H24FN3O3.C21H23F3N2O4.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;1-2-29-19-11-16(20(27)25-28)10-15-6-4-8-26(13-18(15)19)12-14-5-3-7-17(9-14)30-21(22,23)24;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);3,5,7,9-11,28H,2,4,6,8,12-13H2,1H3,(H,25,27);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;9-ethoxy-N-hydroxy-2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine-7-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;9-ethoxy-N-hydroxy-2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide;6-fluoro-N-hydroxy-3-[(3-methoxyphenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide has a molecular weight of 1958.03 g/mol, XLogP of 16.94, 23 rotatable bonds, 9 hydrogen bond donors, and 22 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;9-ethoxy-N-hydroxy-2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide;6-fluoro-N-hydroxy-3-[(3-methoxyphenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-8-carboxamide is sourced from PubChem (CID 158627166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).