benzamide;2-chloro-5-methylaniline;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;3-chloro-6-methylpyridazine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;1-ethyl-4-methylbenzene;2-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one

C157H175Cl9N24O11S3 — CID 159428176

About benzamide;2-chloro-5-methylaniline;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;3-chloro-6-methylpyridazine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;1-ethyl-4-methylbenzene;2-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one

benzamide;2-chloro-5-methylaniline;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;3-chloro-6-methylpyridazine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;1-ethyl-4-methylbenzene;2-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one (PubChem CID 159428176) has the molecular formula C157H175Cl9N24O11S3 and a molecular weight of 2989.56 g/mol. Its IUPAC name is benzamide;2-chloro-5-methylaniline;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;3-chloro-6-methylpyridazine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;1-ethyl-4-methylbenzene;2-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

• Compound Name: benzamide;2-chloro-5-methylaniline;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;3-chloro-6-methylpyridazine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;1-ethyl-4-methylbenzene;2-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one
• PubChem CID: 159428176
• Molecular Formula: C157H175Cl9N24O11S3
• Molecular Weight: 2989.56 g/mol
• Exact Mass: 2983.02
• IUPAC Name: benzamide;2-chloro-5-methylaniline;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;3-chloro-6-methylpyridazine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;1-ethyl-4-methylbenzene;2-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one
• SMILES: CCc1ccc(C)cc1.Cc1ccc(CN)cc1.Cc1ccc(Cl)c(N)c1.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cc1C(N)=O.Cc1ccc(Cl)cc1S(N)(=O)=O.Cc1ccc(Cl)cn1.Cc1ccc(Cl)nn1.Cc1ccc(Cl)s1.Cc1ccc2c(c1)NCC2.Cc1ccc2ccnc(N)c2c1.Cc1ccc2onc(N)c2c1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1cccc(-c2noc(=O)[nH]2)c1.Cc1cccc(CN)c1.Cc1cccc(Cl)c1.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1S(N)(=O)=O.Cc1ncc(Cl)cn1.NC(=O)c1ccccc1
• InChI: InChI=1S/C10H10N2.C9H9N3O.C9H8N2O2.C9H11N.C9H12.C8H8ClNO.C8H8N2O.C8H9NO.3C8H11N.C7H8ClNO2S.C7H8ClN.2C7H7Cl.C7H9NO2S.C7H7NO.C6H6ClN.2C5H5ClN2.C5H5ClS/c1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-6-3-2-4-7(5-6)8-10-9(12)13-11-8;1-7-2-3-8-4-5-10-9(8)6-7;1-3-9-6-4-8(2)5-7-9;1-5-2-3-6(9)4-7(5)8(10)11;1-5-2-3-7-6(4-5)8(9)10-11-7;1-6-4-2-3-5-7(6)8(9)10;1-7-2-4-8(6-9)5-3-7;1-7-3-2-4-8(5-7)6-9;1-7-4-2-3-5-8(7)6-9;1-5-2-3-6(8)4-7(5)12(9,10)11;1-5-2-3-6(8)7(9)4-5;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)11(8,9)10;8-7(9)6-4-2-1-3-5-6;1-5-2-3-6(7)4-8-5;1-4-7-2-5(6)3-8-4;1-4-2-3-5(6)8-7-4;1-4-2-3-5(6)7-4/h2-6H,1H3,(H2,11,12);2-5H,1H3,(H2,10,11,12,13);2-5H,1H3,(H,10,11,12);2-3,6,10H,4-5H2,1H3;4-7H,3H2,1-2H3;2-4H,1H3,(H2,10,11);2-4H,1H3,(H2,9,10);2-5H,1H3,(H2,9,10);3*2-5H,6,9H2,1H3;2-4H,1H3,(H2,9,10,11);2-4H,9H2,1H3;2*2-5H,1H3;2-5H,1H3,(H2,8,9,10);1-5H,(H2,8,9);2-4H,1H3;2*2-3H,1H3;2-3H,1H3
• InChIKey: LQQIFKNRJDARAY-UHFFFAOYSA-N
• XLogP: 35.86
• TPSA: 641.54 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 28
• Rotatable Bonds: 11
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2989.56
LogP ≤ 5	35.86
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzamide;2-chloro-5-methylaniline;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;3-chloro-6-methylpyridazine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;1-ethyl-4-methylbenzene;2-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one?

The IUPAC name of benzamide;2-chloro-5-methylaniline;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;3-chloro-6-methylpyridazine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;1-ethyl-4-methylbenzene;2-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one (CID 159428176) is benzamide;2-chloro-5-methylaniline;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;3-chloro-6-methylpyridazine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;1-ethyl-4-methylbenzene;2-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one.

What is the SMILES notation for benzamide;2-chloro-5-methylaniline;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;3-chloro-6-methylpyridazine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;1-ethyl-4-methylbenzene;2-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one?

The canonical SMILES for benzamide;2-chloro-5-methylaniline;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;3-chloro-6-methylpyridazine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;1-ethyl-4-methylbenzene;2-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one is CCc1ccc(C)cc1.Cc1ccc(CN)cc1.Cc1ccc(Cl)c(N)c1.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cc1C(N)=O.Cc1ccc(Cl)cc1S(N)(=O)=O.Cc1ccc(Cl)cn1.Cc1ccc(Cl)nn1.Cc1ccc(Cl)s1.Cc1ccc2c(c1)NCC2.Cc1ccc2ccnc(N)c2c1.Cc1ccc2onc(N)c2c1.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1cccc(-c2noc(=O)[nH]2)c1.Cc1cccc(CN)c1.Cc1cccc(Cl)c1.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1S(N)(=O)=O.Cc1ncc(Cl)cn1.NC(=O)c1ccccc1.

What is the InChIKey of benzamide;2-chloro-5-methylaniline;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;3-chloro-6-methylpyridazine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;1-ethyl-4-methylbenzene;2-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one?

The InChIKey is LQQIFKNRJDARAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2.C9H9N3O.C9H8N2O2.C9H11N.C9H12.C8H8ClNO.C8H8N2O.C8H9NO.3C8H11N.C7H8ClNO2S.C7H8ClN.2C7H7Cl.C7H9NO2S.C7H7NO.C6H6ClN.2C5H5ClN2.C5H5ClS/c1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-6-3-2-4-7(5-6)8-10-9(12)13-11-8;1-7-2-3-8-4-5-10-9(8)6-7;1-3-9-6-4-8(2)5-7-9;1-5-2-3-6(9)4-7(5)8(10)11;1-5-2-3-7-6(4-5)8(9)10-11-7;1-6-4-2-3-5-7(6)8(9)10;1-7-2-4-8(6-9)5-3-7;1-7-3-2-4-8(5-7)6-9;1-7-4-2-3-5-8(7)6-9;1-5-2-3-6(8)4-7(5)12(9,10)11;1-5-2-3-6(8)7(9)4-5;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)11(8,9)10;8-7(9)6-4-2-1-3-5-6;1-5-2-3-6(7)4-8-5;1-4-7-2-5(6)3-8-4;1-4-2-3-5(6)8-7-4;1-4-2-3-5(6)7-4/h2-6H,1H3,(H2,11,12);2-5H,1H3,(H2,10,11,12,13);2-5H,1H3,(H,10,11,12);2-3,6,10H,4-5H2,1H3;4-7H,3H2,1-2H3;2-4H,1H3,(H2,10,11);2-4H,1H3,(H2,9,10);2-5H,1H3,(H2,9,10);3*2-5H,6,9H2,1H3;2-4H,1H3,(H2,9,10,11);2-4H,9H2,1H3;2*2-5H,1H3;2-5H,1H3,(H2,8,9,10);1-5H,(H2,8,9);2-4H,1H3;2*2-3H,1H3;2-3H,1H3.

What are the key properties of benzamide;2-chloro-5-methylaniline;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;3-chloro-6-methylpyridazine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;1-ethyl-4-methylbenzene;2-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one?

benzamide;2-chloro-5-methylaniline;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;3-chloro-6-methylpyridazine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;1-ethyl-4-methylbenzene;2-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one has a molecular weight of 2989.56 g/mol, XLogP of 35.86, 11 rotatable bonds, 15 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for benzamide;2-chloro-5-methylaniline;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;3-chloro-6-methylpyridazine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;1-ethyl-4-methylbenzene;2-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;3-(3-methylphenyl)-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 159428176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).