chlorobenzene;2-chloro-N,N-dimethylbenzamide;3-chloro-N,N-dimethylbenzamide;4-chloro-1,2-dimethylbenzene;1-chloro-4-ethoxy-2-methylbenzene;4-chloro-1-ethoxy-2-methylbenzene;5-chloro-2-fluoro-N,N-dimethylbenzamide;4-chloro-1-methoxy-2-methylbenzene;bis(1-chloro-2-methylbenzene);1-chloro-3-methylbenzene;bis(1-chloro-4-methylbenzene);4-chloro-2-methyl-1-propan-2-yloxybenzene;1,3-dichlorobenzene;N,N-diethyl-2-fluorobenzamide;N,N-diethyl-3-fluorobenzamide;1-(1,1-difluoroethyl)-4-phenylmethoxybenzene;N-ethyl-2-fluoro-N-methylbenzamide;2-fluoro-N-methylbenzamide

C173H188Cl16F7N7O12 — CID 158529659

About chlorobenzene;2-chloro-N,N-dimethylbenzamide;3-chloro-N,N-dimethylbenzamide;4-chloro-1,2-dimethylbenzene;1-chloro-4-ethoxy-2-methylbenzene;4-chloro-1-ethoxy-2-methylbenzene;5-chloro-2-fluoro-N,N-dimethylbenzamide;4-chloro-1-methoxy-2-methylbenzene;bis(1-chloro-2-methylbenzene);1-chloro-3-methylbenzene;bis(1-chloro-4-methylbenzene);4-chloro-2-methyl-1-propan-2-yloxybenzene;1,3-dichlorobenzene;N,N-diethyl-2-fluorobenzamide;N,N-diethyl-3-fluorobenzamide;1-(1,1-difluoroethyl)-4-phenylmethoxybenzene;N-ethyl-2-fluoro-N-methylbenzamide;2-fluoro-N-methylbenzamide

chlorobenzene;2-chloro-N,N-dimethylbenzamide;3-chloro-N,N-dimethylbenzamide;4-chloro-1,2-dimethylbenzene;1-chloro-4-ethoxy-2-methylbenzene;4-chloro-1-ethoxy-2-methylbenzene;5-chloro-2-fluoro-N,N-dimethylbenzamide;4-chloro-1-methoxy-2-methylbenzene;bis(1-chloro-2-methylbenzene);1-chloro-3-methylbenzene;bis(1-chloro-4-methylbenzene);4-chloro-2-methyl-1-propan-2-yloxybenzene;1,3-dichlorobenzene;N,N-diethyl-2-fluorobenzamide;N,N-diethyl-3-fluorobenzamide;1-(1,1-difluoroethyl)-4-phenylmethoxybenzene;N-ethyl-2-fluoro-N-methylbenzamide;2-fluoro-N-methylbenzamide (PubChem CID 158529659) has the molecular formula C173H188Cl16F7N7O12 and a molecular weight of 3257.68 g/mol. Its IUPAC name is chlorobenzene;2-chloro-N,N-dimethylbenzamide;3-chloro-N,N-dimethylbenzamide;4-chloro-1,2-dimethylbenzene;1-chloro-4-ethoxy-2-methylbenzene;4-chloro-1-ethoxy-2-methylbenzene;5-chloro-2-fluoro-N,N-dimethylbenzamide;4-chloro-1-methoxy-2-methylbenzene;bis(1-chloro-2-methylbenzene);1-chloro-3-methylbenzene;bis(1-chloro-4-methylbenzene);4-chloro-2-methyl-1-propan-2-yloxybenzene;1,3-dichlorobenzene;N,N-diethyl-2-fluorobenzamide;N,N-diethyl-3-fluorobenzamide;1-(1,1-difluoroethyl)-4-phenylmethoxybenzene;N-ethyl-2-fluoro-N-methylbenzamide;2-fluoro-N-methylbenzamide.

Molecular Properties

• Compound Name: chlorobenzene;2-chloro-N,N-dimethylbenzamide;3-chloro-N,N-dimethylbenzamide;4-chloro-1,2-dimethylbenzene;1-chloro-4-ethoxy-2-methylbenzene;4-chloro-1-ethoxy-2-methylbenzene;5-chloro-2-fluoro-N,N-dimethylbenzamide;4-chloro-1-methoxy-2-methylbenzene;bis(1-chloro-2-methylbenzene);1-chloro-3-methylbenzene;bis(1-chloro-4-methylbenzene);4-chloro-2-methyl-1-propan-2-yloxybenzene;1,3-dichlorobenzene;N,N-diethyl-2-fluorobenzamide;N,N-diethyl-3-fluorobenzamide;1-(1,1-difluoroethyl)-4-phenylmethoxybenzene;N-ethyl-2-fluoro-N-methylbenzamide;2-fluoro-N-methylbenzamide
• PubChem CID: 158529659
• Molecular Formula: C173H188Cl16F7N7O12
• Molecular Weight: 3257.68 g/mol
• Exact Mass: 3247.92
• IUPAC Name: chlorobenzene;2-chloro-N,N-dimethylbenzamide;3-chloro-N,N-dimethylbenzamide;4-chloro-1,2-dimethylbenzene;1-chloro-4-ethoxy-2-methylbenzene;4-chloro-1-ethoxy-2-methylbenzene;5-chloro-2-fluoro-N,N-dimethylbenzamide;4-chloro-1-methoxy-2-methylbenzene;bis(1-chloro-2-methylbenzene);1-chloro-3-methylbenzene;bis(1-chloro-4-methylbenzene);4-chloro-2-methyl-1-propan-2-yloxybenzene;1,3-dichlorobenzene;N,N-diethyl-2-fluorobenzamide;N,N-diethyl-3-fluorobenzamide;1-(1,1-difluoroethyl)-4-phenylmethoxybenzene;N-ethyl-2-fluoro-N-methylbenzamide;2-fluoro-N-methylbenzamide
• SMILES: CC(F)(F)c1ccc(OCc2ccccc2)cc1.CCN(C)C(=O)c1ccccc1F.CCN(CC)C(=O)c1cccc(F)c1.CCN(CC)C(=O)c1ccccc1F.CCOc1ccc(Cl)c(C)c1.CCOc1ccc(Cl)cc1C.CN(C)C(=O)c1cc(Cl)ccc1F.CN(C)C(=O)c1cccc(Cl)c1.CN(C)C(=O)c1ccccc1Cl.CNC(=O)c1ccccc1F.COc1ccc(Cl)cc1C.Cc1cc(Cl)ccc1OC(C)C.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cc1C.Cc1cccc(Cl)c1.Cc1ccccc1Cl.Cc1ccccc1Cl.Clc1cccc(Cl)c1.Clc1ccccc1
• InChI: InChI=1S/C15H14F2O.2C11H14FNO.C10H13ClO.C10H12FNO.C9H9ClFNO.2C9H10ClNO.2C9H11ClO.C8H9ClO.C8H9Cl.C8H8FNO.5C7H7Cl.C6H4Cl2.C6H5Cl/c1-15(16,17)13-7-9-14(10-8-13)18-11-12-5-3-2-4-6-12;1-3-13(4-2)11(14)9-6-5-7-10(12)8-9;1-3-13(4-2)11(14)9-7-5-6-8-10(9)12;1-7(2)12-10-5-4-9(11)6-8(10)3;1-3-12(2)10(13)8-6-4-5-7-9(8)11;1-12(2)9(13)7-5-6(10)3-4-8(7)11;1-11(2)9(12)7-4-3-5-8(10)6-7;1-11(2)9(12)7-5-3-4-6-8(7)10;1-3-11-8-4-5-9(10)7(2)6-8;1-3-11-9-5-4-8(10)6-7(9)2;1-6-5-7(9)3-4-8(6)10-2;1-6-3-4-8(9)5-7(6)2;1-10-8(11)6-4-2-3-5-7(6)9;2*1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;2*1-6-4-2-3-5-7(6)8;7-5-2-1-3-6(8)4-5;7-6-4-2-1-3-5-6/h2-10H,11H2,1H3;2*5-8H,3-4H2,1-2H3;4-7H,1-3H3;4-7H,3H2,1-2H3;3-5H,1-2H3;2*3-6H,1-2H3;2*4-6H,3H2,1-2H3;3-5H,1-2H3;3-5H,1-2H3;2-5H,1H3,(H,10,11);5*2-5H,1H3;1-4H;1-5H
• InChIKey: HNFAYJAKUJCQBV-UHFFFAOYSA-N
• XLogP: 52.08
• TPSA: 197.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 23
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3257.68
LogP ≤ 5	52.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of chlorobenzene;2-chloro-N,N-dimethylbenzamide;3-chloro-N,N-dimethylbenzamide;4-chloro-1,2-dimethylbenzene;1-chloro-4-ethoxy-2-methylbenzene;4-chloro-1-ethoxy-2-methylbenzene;5-chloro-2-fluoro-N,N-dimethylbenzamide;4-chloro-1-methoxy-2-methylbenzene;bis(1-chloro-2-methylbenzene);1-chloro-3-methylbenzene;bis(1-chloro-4-methylbenzene);4-chloro-2-methyl-1-propan-2-yloxybenzene;1,3-dichlorobenzene;N,N-diethyl-2-fluorobenzamide;N,N-diethyl-3-fluorobenzamide;1-(1,1-difluoroethyl)-4-phenylmethoxybenzene;N-ethyl-2-fluoro-N-methylbenzamide;2-fluoro-N-methylbenzamide?

The IUPAC name of chlorobenzene;2-chloro-N,N-dimethylbenzamide;3-chloro-N,N-dimethylbenzamide;4-chloro-1,2-dimethylbenzene;1-chloro-4-ethoxy-2-methylbenzene;4-chloro-1-ethoxy-2-methylbenzene;5-chloro-2-fluoro-N,N-dimethylbenzamide;4-chloro-1-methoxy-2-methylbenzene;bis(1-chloro-2-methylbenzene);1-chloro-3-methylbenzene;bis(1-chloro-4-methylbenzene);4-chloro-2-methyl-1-propan-2-yloxybenzene;1,3-dichlorobenzene;N,N-diethyl-2-fluorobenzamide;N,N-diethyl-3-fluorobenzamide;1-(1,1-difluoroethyl)-4-phenylmethoxybenzene;N-ethyl-2-fluoro-N-methylbenzamide;2-fluoro-N-methylbenzamide (CID 158529659) is chlorobenzene;2-chloro-N,N-dimethylbenzamide;3-chloro-N,N-dimethylbenzamide;4-chloro-1,2-dimethylbenzene;1-chloro-4-ethoxy-2-methylbenzene;4-chloro-1-ethoxy-2-methylbenzene;5-chloro-2-fluoro-N,N-dimethylbenzamide;4-chloro-1-methoxy-2-methylbenzene;bis(1-chloro-2-methylbenzene);1-chloro-3-methylbenzene;bis(1-chloro-4-methylbenzene);4-chloro-2-methyl-1-propan-2-yloxybenzene;1,3-dichlorobenzene;N,N-diethyl-2-fluorobenzamide;N,N-diethyl-3-fluorobenzamide;1-(1,1-difluoroethyl)-4-phenylmethoxybenzene;N-ethyl-2-fluoro-N-methylbenzamide;2-fluoro-N-methylbenzamide.

What is the SMILES notation for chlorobenzene;2-chloro-N,N-dimethylbenzamide;3-chloro-N,N-dimethylbenzamide;4-chloro-1,2-dimethylbenzene;1-chloro-4-ethoxy-2-methylbenzene;4-chloro-1-ethoxy-2-methylbenzene;5-chloro-2-fluoro-N,N-dimethylbenzamide;4-chloro-1-methoxy-2-methylbenzene;bis(1-chloro-2-methylbenzene);1-chloro-3-methylbenzene;bis(1-chloro-4-methylbenzene);4-chloro-2-methyl-1-propan-2-yloxybenzene;1,3-dichlorobenzene;N,N-diethyl-2-fluorobenzamide;N,N-diethyl-3-fluorobenzamide;1-(1,1-difluoroethyl)-4-phenylmethoxybenzene;N-ethyl-2-fluoro-N-methylbenzamide;2-fluoro-N-methylbenzamide?

The canonical SMILES for chlorobenzene;2-chloro-N,N-dimethylbenzamide;3-chloro-N,N-dimethylbenzamide;4-chloro-1,2-dimethylbenzene;1-chloro-4-ethoxy-2-methylbenzene;4-chloro-1-ethoxy-2-methylbenzene;5-chloro-2-fluoro-N,N-dimethylbenzamide;4-chloro-1-methoxy-2-methylbenzene;bis(1-chloro-2-methylbenzene);1-chloro-3-methylbenzene;bis(1-chloro-4-methylbenzene);4-chloro-2-methyl-1-propan-2-yloxybenzene;1,3-dichlorobenzene;N,N-diethyl-2-fluorobenzamide;N,N-diethyl-3-fluorobenzamide;1-(1,1-difluoroethyl)-4-phenylmethoxybenzene;N-ethyl-2-fluoro-N-methylbenzamide;2-fluoro-N-methylbenzamide is CC(F)(F)c1ccc(OCc2ccccc2)cc1.CCN(C)C(=O)c1ccccc1F.CCN(CC)C(=O)c1cccc(F)c1.CCN(CC)C(=O)c1ccccc1F.CCOc1ccc(Cl)c(C)c1.CCOc1ccc(Cl)cc1C.CN(C)C(=O)c1cc(Cl)ccc1F.CN(C)C(=O)c1cccc(Cl)c1.CN(C)C(=O)c1ccccc1Cl.CNC(=O)c1ccccc1F.COc1ccc(Cl)cc1C.Cc1cc(Cl)ccc1OC(C)C.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cc1C.Cc1cccc(Cl)c1.Cc1ccccc1Cl.Cc1ccccc1Cl.Clc1cccc(Cl)c1.Clc1ccccc1.

What is the InChIKey of chlorobenzene;2-chloro-N,N-dimethylbenzamide;3-chloro-N,N-dimethylbenzamide;4-chloro-1,2-dimethylbenzene;1-chloro-4-ethoxy-2-methylbenzene;4-chloro-1-ethoxy-2-methylbenzene;5-chloro-2-fluoro-N,N-dimethylbenzamide;4-chloro-1-methoxy-2-methylbenzene;bis(1-chloro-2-methylbenzene);1-chloro-3-methylbenzene;bis(1-chloro-4-methylbenzene);4-chloro-2-methyl-1-propan-2-yloxybenzene;1,3-dichlorobenzene;N,N-diethyl-2-fluorobenzamide;N,N-diethyl-3-fluorobenzamide;1-(1,1-difluoroethyl)-4-phenylmethoxybenzene;N-ethyl-2-fluoro-N-methylbenzamide;2-fluoro-N-methylbenzamide?

The InChIKey is HNFAYJAKUJCQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O.2C11H14FNO.C10H13ClO.C10H12FNO.C9H9ClFNO.2C9H10ClNO.2C9H11ClO.C8H9ClO.C8H9Cl.C8H8FNO.5C7H7Cl.C6H4Cl2.C6H5Cl/c1-15(16,17)13-7-9-14(10-8-13)18-11-12-5-3-2-4-6-12;1-3-13(4-2)11(14)9-6-5-7-10(12)8-9;1-3-13(4-2)11(14)9-7-5-6-8-10(9)12;1-7(2)12-10-5-4-9(11)6-8(10)3;1-3-12(2)10(13)8-6-4-5-7-9(8)11;1-12(2)9(13)7-5-6(10)3-4-8(7)11;1-11(2)9(12)7-4-3-5-8(10)6-7;1-11(2)9(12)7-5-3-4-6-8(7)10;1-3-11-8-4-5-9(10)7(2)6-8;1-3-11-9-5-4-8(10)6-7(9)2;1-6-5-7(9)3-4-8(6)10-2;1-6-3-4-8(9)5-7(6)2;1-10-8(11)6-4-2-3-5-7(6)9;2*1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;2*1-6-4-2-3-5-7(6)8;7-5-2-1-3-6(8)4-5;7-6-4-2-1-3-5-6/h2-10H,11H2,1H3;2*5-8H,3-4H2,1-2H3;4-7H,1-3H3;4-7H,3H2,1-2H3;3-5H,1-2H3;2*3-6H,1-2H3;2*4-6H,3H2,1-2H3;3-5H,1-2H3;3-5H,1-2H3;2-5H,1H3,(H,10,11);5*2-5H,1H3;1-4H;1-5H.

What are the key properties of chlorobenzene;2-chloro-N,N-dimethylbenzamide;3-chloro-N,N-dimethylbenzamide;4-chloro-1,2-dimethylbenzene;1-chloro-4-ethoxy-2-methylbenzene;4-chloro-1-ethoxy-2-methylbenzene;5-chloro-2-fluoro-N,N-dimethylbenzamide;4-chloro-1-methoxy-2-methylbenzene;bis(1-chloro-2-methylbenzene);1-chloro-3-methylbenzene;bis(1-chloro-4-methylbenzene);4-chloro-2-methyl-1-propan-2-yloxybenzene;1,3-dichlorobenzene;N,N-diethyl-2-fluorobenzamide;N,N-diethyl-3-fluorobenzamide;1-(1,1-difluoroethyl)-4-phenylmethoxybenzene;N-ethyl-2-fluoro-N-methylbenzamide;2-fluoro-N-methylbenzamide?

chlorobenzene;2-chloro-N,N-dimethylbenzamide;3-chloro-N,N-dimethylbenzamide;4-chloro-1,2-dimethylbenzene;1-chloro-4-ethoxy-2-methylbenzene;4-chloro-1-ethoxy-2-methylbenzene;5-chloro-2-fluoro-N,N-dimethylbenzamide;4-chloro-1-methoxy-2-methylbenzene;bis(1-chloro-2-methylbenzene);1-chloro-3-methylbenzene;bis(1-chloro-4-methylbenzene);4-chloro-2-methyl-1-propan-2-yloxybenzene;1,3-dichlorobenzene;N,N-diethyl-2-fluorobenzamide;N,N-diethyl-3-fluorobenzamide;1-(1,1-difluoroethyl)-4-phenylmethoxybenzene;N-ethyl-2-fluoro-N-methylbenzamide;2-fluoro-N-methylbenzamide has a molecular weight of 3257.68 g/mol, XLogP of 52.08, 23 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for chlorobenzene;2-chloro-N,N-dimethylbenzamide;3-chloro-N,N-dimethylbenzamide;4-chloro-1,2-dimethylbenzene;1-chloro-4-ethoxy-2-methylbenzene;4-chloro-1-ethoxy-2-methylbenzene;5-chloro-2-fluoro-N,N-dimethylbenzamide;4-chloro-1-methoxy-2-methylbenzene;bis(1-chloro-2-methylbenzene);1-chloro-3-methylbenzene;bis(1-chloro-4-methylbenzene);4-chloro-2-methyl-1-propan-2-yloxybenzene;1,3-dichlorobenzene;N,N-diethyl-2-fluorobenzamide;N,N-diethyl-3-fluorobenzamide;1-(1,1-difluoroethyl)-4-phenylmethoxybenzene;N-ethyl-2-fluoro-N-methylbenzamide;2-fluoro-N-methylbenzamide is sourced from PubChem (CID 158529659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).