N-(4-acetyl-3-fluorophenyl)-4-chloro-3-ethoxy-5-pentan-3-yloxybenzamide;N-(4-acetyl-3-methylphenyl)-4-chloro-3,5-di(propan-2-yloxy)benzamide;N-(4-acetylphenyl)-4-chloro-3-methoxy-5-propan-2-yloxybenzamide;N-(4-acetylphenyl)-4-fluoro-3,5-di(propan-2-yloxy)benzamide;N-(4-acetylphenyl)-3-methyl-4,5-di(propan-2-yloxy)benzamide

C106H122Cl3F2N5O20 — CID 161444141

About N-(4-acetyl-3-fluorophenyl)-4-chloro-3-ethoxy-5-pentan-3-yloxybenzamide;N-(4-acetyl-3-methylphenyl)-4-chloro-3,5-di(propan-2-yloxy)benzamide;N-(4-acetylphenyl)-4-chloro-3-methoxy-5-propan-2-yloxybenzamide;N-(4-acetylphenyl)-4-fluoro-3,5-di(propan-2-yloxy)benzamide;N-(4-acetylphenyl)-3-methyl-4,5-di(propan-2-yloxy)benzamide

N-(4-acetyl-3-fluorophenyl)-4-chloro-3-ethoxy-5-pentan-3-yloxybenzamide;N-(4-acetyl-3-methylphenyl)-4-chloro-3,5-di(propan-2-yloxy)benzamide;N-(4-acetylphenyl)-4-chloro-3-methoxy-5-propan-2-yloxybenzamide;N-(4-acetylphenyl)-4-fluoro-3,5-di(propan-2-yloxy)benzamide;N-(4-acetylphenyl)-3-methyl-4,5-di(propan-2-yloxy)benzamide (PubChem CID 161444141) has the molecular formula C106H122Cl3F2N5O20 and a molecular weight of 1930.51 g/mol. Its IUPAC name is N-(4-acetyl-3-fluorophenyl)-4-chloro-3-ethoxy-5-pentan-3-yloxybenzamide;N-(4-acetyl-3-methylphenyl)-4-chloro-3,5-di(propan-2-yloxy)benzamide;N-(4-acetylphenyl)-4-chloro-3-methoxy-5-propan-2-yloxybenzamide;N-(4-acetylphenyl)-4-fluoro-3,5-di(propan-2-yloxy)benzamide;N-(4-acetylphenyl)-3-methyl-4,5-di(propan-2-yloxy)benzamide.

Molecular Properties

• Compound Name: N-(4-acetyl-3-fluorophenyl)-4-chloro-3-ethoxy-5-pentan-3-yloxybenzamide;N-(4-acetyl-3-methylphenyl)-4-chloro-3,5-di(propan-2-yloxy)benzamide;N-(4-acetylphenyl)-4-chloro-3-methoxy-5-propan-2-yloxybenzamide;N-(4-acetylphenyl)-4-fluoro-3,5-di(propan-2-yloxy)benzamide;N-(4-acetylphenyl)-3-methyl-4,5-di(propan-2-yloxy)benzamide
• PubChem CID: 161444141
• Molecular Formula: C106H122Cl3F2N5O20
• Molecular Weight: 1930.51 g/mol
• Exact Mass: 1927.77
• IUPAC Name: N-(4-acetyl-3-fluorophenyl)-4-chloro-3-ethoxy-5-pentan-3-yloxybenzamide;N-(4-acetyl-3-methylphenyl)-4-chloro-3,5-di(propan-2-yloxy)benzamide;N-(4-acetylphenyl)-4-chloro-3-methoxy-5-propan-2-yloxybenzamide;N-(4-acetylphenyl)-4-fluoro-3,5-di(propan-2-yloxy)benzamide;N-(4-acetylphenyl)-3-methyl-4,5-di(propan-2-yloxy)benzamide
• SMILES: CC(=O)c1ccc(NC(=O)c2cc(C)c(OC(C)C)c(OC(C)C)c2)cc1.CC(=O)c1ccc(NC(=O)c2cc(OC(C)C)c(Cl)c(OC(C)C)c2)cc1C.CC(=O)c1ccc(NC(=O)c2cc(OC(C)C)c(F)c(OC(C)C)c2)cc1.CCOc1cc(C(=O)Nc2ccc(C(C)=O)c(F)c2)cc(OC(CC)CC)c1Cl.COc1cc(C(=O)Nc2ccc(C(C)=O)cc2)cc(OC(C)C)c1Cl
• InChI: InChI=1S/C22H25ClFNO4.C22H26ClNO4.C22H27NO4.C21H24FNO4.C19H20ClNO4/c1-5-16(6-2)29-20-11-14(10-19(21(20)23)28-7-3)22(27)25-15-8-9-17(13(4)26)18(24)12-15;1-12(2)27-19-10-16(11-20(21(19)23)28-13(3)4)22(26)24-17-7-8-18(15(6)25)14(5)9-17;1-13(2)26-20-12-18(11-15(5)21(20)27-14(3)4)22(25)23-19-9-7-17(8-10-19)16(6)24;1-12(2)26-18-10-16(11-19(20(18)22)27-13(3)4)21(25)23-17-8-6-15(7-9-17)14(5)24;1-11(2)25-17-10-14(9-16(24-4)18(17)20)19(23)21-15-7-5-13(6-8-15)12(3)22/h8-12,16H,5-7H2,1-4H3,(H,25,27);7-13H,1-6H3,(H,24,26);7-14H,1-6H3,(H,23,25);6-13H,1-5H3,(H,23,25);5-11H,1-4H3,(H,21,23)
• InChIKey: VZRAXDHFKLYITJ-UHFFFAOYSA-N
• XLogP: 26.05
• TPSA: 323.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 36
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1930.51
LogP ≤ 5	26.05
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-3-fluorophenyl)-4-chloro-3-ethoxy-5-pentan-3-yloxybenzamide;N-(4-acetyl-3-methylphenyl)-4-chloro-3,5-di(propan-2-yloxy)benzamide;N-(4-acetylphenyl)-4-chloro-3-methoxy-5-propan-2-yloxybenzamide;N-(4-acetylphenyl)-4-fluoro-3,5-di(propan-2-yloxy)benzamide;N-(4-acetylphenyl)-3-methyl-4,5-di(propan-2-yloxy)benzamide?

The IUPAC name of N-(4-acetyl-3-fluorophenyl)-4-chloro-3-ethoxy-5-pentan-3-yloxybenzamide;N-(4-acetyl-3-methylphenyl)-4-chloro-3,5-di(propan-2-yloxy)benzamide;N-(4-acetylphenyl)-4-chloro-3-methoxy-5-propan-2-yloxybenzamide;N-(4-acetylphenyl)-4-fluoro-3,5-di(propan-2-yloxy)benzamide;N-(4-acetylphenyl)-3-methyl-4,5-di(propan-2-yloxy)benzamide (CID 161444141) is N-(4-acetyl-3-fluorophenyl)-4-chloro-3-ethoxy-5-pentan-3-yloxybenzamide;N-(4-acetyl-3-methylphenyl)-4-chloro-3,5-di(propan-2-yloxy)benzamide;N-(4-acetylphenyl)-4-chloro-3-methoxy-5-propan-2-yloxybenzamide;N-(4-acetylphenyl)-4-fluoro-3,5-di(propan-2-yloxy)benzamide;N-(4-acetylphenyl)-3-methyl-4,5-di(propan-2-yloxy)benzamide.

What is the SMILES notation for N-(4-acetyl-3-fluorophenyl)-4-chloro-3-ethoxy-5-pentan-3-yloxybenzamide;N-(4-acetyl-3-methylphenyl)-4-chloro-3,5-di(propan-2-yloxy)benzamide;N-(4-acetylphenyl)-4-chloro-3-methoxy-5-propan-2-yloxybenzamide;N-(4-acetylphenyl)-4-fluoro-3,5-di(propan-2-yloxy)benzamide;N-(4-acetylphenyl)-3-methyl-4,5-di(propan-2-yloxy)benzamide?

The canonical SMILES for N-(4-acetyl-3-fluorophenyl)-4-chloro-3-ethoxy-5-pentan-3-yloxybenzamide;N-(4-acetyl-3-methylphenyl)-4-chloro-3,5-di(propan-2-yloxy)benzamide;N-(4-acetylphenyl)-4-chloro-3-methoxy-5-propan-2-yloxybenzamide;N-(4-acetylphenyl)-4-fluoro-3,5-di(propan-2-yloxy)benzamide;N-(4-acetylphenyl)-3-methyl-4,5-di(propan-2-yloxy)benzamide is CC(=O)c1ccc(NC(=O)c2cc(C)c(OC(C)C)c(OC(C)C)c2)cc1.CC(=O)c1ccc(NC(=O)c2cc(OC(C)C)c(Cl)c(OC(C)C)c2)cc1C.CC(=O)c1ccc(NC(=O)c2cc(OC(C)C)c(F)c(OC(C)C)c2)cc1.CCOc1cc(C(=O)Nc2ccc(C(C)=O)c(F)c2)cc(OC(CC)CC)c1Cl.COc1cc(C(=O)Nc2ccc(C(C)=O)cc2)cc(OC(C)C)c1Cl.

What is the InChIKey of N-(4-acetyl-3-fluorophenyl)-4-chloro-3-ethoxy-5-pentan-3-yloxybenzamide;N-(4-acetyl-3-methylphenyl)-4-chloro-3,5-di(propan-2-yloxy)benzamide;N-(4-acetylphenyl)-4-chloro-3-methoxy-5-propan-2-yloxybenzamide;N-(4-acetylphenyl)-4-fluoro-3,5-di(propan-2-yloxy)benzamide;N-(4-acetylphenyl)-3-methyl-4,5-di(propan-2-yloxy)benzamide?

The InChIKey is VZRAXDHFKLYITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFNO4.C22H26ClNO4.C22H27NO4.C21H24FNO4.C19H20ClNO4/c1-5-16(6-2)29-20-11-14(10-19(21(20)23)28-7-3)22(27)25-15-8-9-17(13(4)26)18(24)12-15;1-12(2)27-19-10-16(11-20(21(19)23)28-13(3)4)22(26)24-17-7-8-18(15(6)25)14(5)9-17;1-13(2)26-20-12-18(11-15(5)21(20)27-14(3)4)22(25)23-19-9-7-17(8-10-19)16(6)24;1-12(2)26-18-10-16(11-19(20(18)22)27-13(3)4)21(25)23-17-8-6-15(7-9-17)14(5)24;1-11(2)25-17-10-14(9-16(24-4)18(17)20)19(23)21-15-7-5-13(6-8-15)12(3)22/h8-12,16H,5-7H2,1-4H3,(H,25,27);7-13H,1-6H3,(H,24,26);7-14H,1-6H3,(H,23,25);6-13H,1-5H3,(H,23,25);5-11H,1-4H3,(H,21,23).

What are the key properties of N-(4-acetyl-3-fluorophenyl)-4-chloro-3-ethoxy-5-pentan-3-yloxybenzamide;N-(4-acetyl-3-methylphenyl)-4-chloro-3,5-di(propan-2-yloxy)benzamide;N-(4-acetylphenyl)-4-chloro-3-methoxy-5-propan-2-yloxybenzamide;N-(4-acetylphenyl)-4-fluoro-3,5-di(propan-2-yloxy)benzamide;N-(4-acetylphenyl)-3-methyl-4,5-di(propan-2-yloxy)benzamide?

N-(4-acetyl-3-fluorophenyl)-4-chloro-3-ethoxy-5-pentan-3-yloxybenzamide;N-(4-acetyl-3-methylphenyl)-4-chloro-3,5-di(propan-2-yloxy)benzamide;N-(4-acetylphenyl)-4-chloro-3-methoxy-5-propan-2-yloxybenzamide;N-(4-acetylphenyl)-4-fluoro-3,5-di(propan-2-yloxy)benzamide;N-(4-acetylphenyl)-3-methyl-4,5-di(propan-2-yloxy)benzamide has a molecular weight of 1930.51 g/mol, XLogP of 26.05, 36 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-acetyl-3-fluorophenyl)-4-chloro-3-ethoxy-5-pentan-3-yloxybenzamide;N-(4-acetyl-3-methylphenyl)-4-chloro-3,5-di(propan-2-yloxy)benzamide;N-(4-acetylphenyl)-4-chloro-3-methoxy-5-propan-2-yloxybenzamide;N-(4-acetylphenyl)-4-fluoro-3,5-di(propan-2-yloxy)benzamide;N-(4-acetylphenyl)-3-methyl-4,5-di(propan-2-yloxy)benzamide is sourced from PubChem (CID 161444141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).