N-benzyl-4-chloro-2-propan-2-ylbenzamide;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-ethenyl-3-methylpyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)tetrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-1,2,4-triazole;tris(1-(4-chloro-2-propan-2-ylphenyl)-4-ethenylpyrazole);1-(4-chloro-2-propan-2-ylphenyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)triazole;N-(4-chloro-2-propan-2-ylphenyl)-2,2,2-trifluoroacetamide;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole;methyl N-(4-chloro-3-fluoro-2-propan-2-ylphenyl)carbamate;methyl N-(4-chloro-2-propan-2-ylphenyl)carbamate

C177H190Cl14F10N28O6 — CID 159805174

About N-benzyl-4-chloro-2-propan-2-ylbenzamide;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-ethenyl-3-methylpyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)tetrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-1,2,4-triazole;tris(1-(4-chloro-2-propan-2-ylphenyl)-4-ethenylpyrazole);1-(4-chloro-2-propan-2-ylphenyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)triazole;N-(4-chloro-2-propan-2-ylphenyl)-2,2,2-trifluoroacetamide;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole;methyl N-(4-chloro-3-fluoro-2-propan-2-ylphenyl)carbamate;methyl N-(4-chloro-2-propan-2-ylphenyl)carbamate

N-benzyl-4-chloro-2-propan-2-ylbenzamide;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-ethenyl-3-methylpyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)tetrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-1,2,4-triazole;tris(1-(4-chloro-2-propan-2-ylphenyl)-4-ethenylpyrazole);1-(4-chloro-2-propan-2-ylphenyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)triazole;N-(4-chloro-2-propan-2-ylphenyl)-2,2,2-trifluoroacetamide;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole;methyl N-(4-chloro-3-fluoro-2-propan-2-ylphenyl)carbamate;methyl N-(4-chloro-2-propan-2-ylphenyl)carbamate (PubChem CID 159805174) has the molecular formula C177H190Cl14F10N28O6 and a molecular weight of 3491.98 g/mol. Its IUPAC name is N-benzyl-4-chloro-2-propan-2-ylbenzamide;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-ethenyl-3-methylpyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)tetrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-1,2,4-triazole;tris(1-(4-chloro-2-propan-2-ylphenyl)-4-ethenylpyrazole);1-(4-chloro-2-propan-2-ylphenyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)triazole;N-(4-chloro-2-propan-2-ylphenyl)-2,2,2-trifluoroacetamide;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole;methyl N-(4-chloro-3-fluoro-2-propan-2-ylphenyl)carbamate;methyl N-(4-chloro-2-propan-2-ylphenyl)carbamate.

Molecular Properties

• Compound Name: N-benzyl-4-chloro-2-propan-2-ylbenzamide;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-ethenyl-3-methylpyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)tetrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-1,2,4-triazole;tris(1-(4-chloro-2-propan-2-ylphenyl)-4-ethenylpyrazole);1-(4-chloro-2-propan-2-ylphenyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)triazole;N-(4-chloro-2-propan-2-ylphenyl)-2,2,2-trifluoroacetamide;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole;methyl N-(4-chloro-3-fluoro-2-propan-2-ylphenyl)carbamate;methyl N-(4-chloro-2-propan-2-ylphenyl)carbamate
• PubChem CID: 159805174
• Molecular Formula: C177H190Cl14F10N28O6
• Molecular Weight: 3491.98 g/mol
• Exact Mass: 3483.09
• IUPAC Name: N-benzyl-4-chloro-2-propan-2-ylbenzamide;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-ethenyl-3-methylpyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)tetrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-1,2,4-triazole;tris(1-(4-chloro-2-propan-2-ylphenyl)-4-ethenylpyrazole);1-(4-chloro-2-propan-2-ylphenyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)triazole;N-(4-chloro-2-propan-2-ylphenyl)-2,2,2-trifluoroacetamide;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole;methyl N-(4-chloro-3-fluoro-2-propan-2-ylphenyl)carbamate;methyl N-(4-chloro-2-propan-2-ylphenyl)carbamate
• SMILES: C=Cc1cn(-c2ccc(Cl)c(F)c2C(C)C)nc1C.C=Cc1cnn(-c2ccc(Cl)cc2C(C)C)c1.C=Cc1cnn(-c2ccc(Cl)cc2C(C)C)c1.C=Cc1cnn(-c2ccc(Cl)cc2C(C)C)c1.CC(C)c1c(-n2cncn2)ccc(Cl)c1F.CC(C)c1c(-n2cnnn2)ccc(Cl)c1F.CC(C)c1cc(Cl)ccc1-n1ccnc1.CC(C)c1cc(Cl)ccc1-n1ccnn1.CC(C)c1cc(Cl)ccc1-n1cnc(C(F)(F)F)c1.CC(C)c1cc(Cl)ccc1C(=O)NCc1ccccc1.CC(C)c1cc(Cl)ccc1NC(=O)C(F)(F)F.COC(=O)Nc1ccc(Cl)c(F)c1C(C)C.COC(=O)Nc1ccc(Cl)cc1C(C)C.Cc1cn(-c2ccc(Cl)cc2C(C)C)cn1
• InChI: InChI=1S/C17H18ClNO.C15H16ClFN2.3C14H15ClN2.C13H12ClF3N2.C13H15ClN2.C12H13ClN2.C11H11ClF3NO.C11H11ClFN3.C11H13ClFNO2.C11H12ClN3.C11H14ClNO2.C10H10ClFN4/c1-12(2)16-10-14(18)8-9-15(16)17(20)19-11-13-6-4-3-5-7-13;1-5-11-8-19(18-10(11)4)13-7-6-12(16)15(17)14(13)9(2)3;3*1-4-11-8-16-17(9-11)14-6-5-12(15)7-13(14)10(2)3;1-8(2)10-5-9(14)3-4-11(10)19-6-12(18-7-19)13(15,16)17;1-9(2)12-6-11(14)4-5-13(12)16-7-10(3)15-8-16;1-9(2)11-7-10(13)3-4-12(11)15-6-5-14-8-15;1-6(2)8-5-7(12)3-4-9(8)16-10(17)11(13,14)15;1-7(2)10-9(16-6-14-5-15-16)4-3-8(12)11(10)13;1-6(2)9-8(14-11(15)16-3)5-4-7(12)10(9)13;1-8(2)10-7-9(12)3-4-11(10)15-6-5-13-14-15;1-7(2)9-6-8(12)4-5-10(9)13-11(14)15-3;1-6(2)9-8(16-5-13-14-15-16)4-3-7(11)10(9)12/h3-10,12H,11H2,1-2H3,(H,19,20);5-9H,1H2,2-4H3;3*4-10H,1H2,2-3H3;3-8H,1-2H3;4-9H,1-3H3;3-9H,1-2H3;3-6H,1-2H3,(H,16,17);3-7H,1-2H3;4-6H,1-3H3,(H,14,15);3-8H,1-2H3;4-7H,1-3H3,(H,13,14);3-6H,1-2H3
• InChIKey: NKHKQKVEJSWNDL-UHFFFAOYSA-N
• XLogP: 54.48
• TPSA: 364.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 34
• Heavy Atoms: 235
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3491.98
LogP ≤ 5	54.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloro-2-propan-2-ylbenzamide;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-ethenyl-3-methylpyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)tetrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-1,2,4-triazole;tris(1-(4-chloro-2-propan-2-ylphenyl)-4-ethenylpyrazole);1-(4-chloro-2-propan-2-ylphenyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)triazole;N-(4-chloro-2-propan-2-ylphenyl)-2,2,2-trifluoroacetamide;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole;methyl N-(4-chloro-3-fluoro-2-propan-2-ylphenyl)carbamate;methyl N-(4-chloro-2-propan-2-ylphenyl)carbamate?

The IUPAC name of N-benzyl-4-chloro-2-propan-2-ylbenzamide;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-ethenyl-3-methylpyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)tetrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-1,2,4-triazole;tris(1-(4-chloro-2-propan-2-ylphenyl)-4-ethenylpyrazole);1-(4-chloro-2-propan-2-ylphenyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)triazole;N-(4-chloro-2-propan-2-ylphenyl)-2,2,2-trifluoroacetamide;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole;methyl N-(4-chloro-3-fluoro-2-propan-2-ylphenyl)carbamate;methyl N-(4-chloro-2-propan-2-ylphenyl)carbamate (CID 159805174) is N-benzyl-4-chloro-2-propan-2-ylbenzamide;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-ethenyl-3-methylpyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)tetrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-1,2,4-triazole;tris(1-(4-chloro-2-propan-2-ylphenyl)-4-ethenylpyrazole);1-(4-chloro-2-propan-2-ylphenyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)triazole;N-(4-chloro-2-propan-2-ylphenyl)-2,2,2-trifluoroacetamide;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole;methyl N-(4-chloro-3-fluoro-2-propan-2-ylphenyl)carbamate;methyl N-(4-chloro-2-propan-2-ylphenyl)carbamate.

What is the SMILES notation for N-benzyl-4-chloro-2-propan-2-ylbenzamide;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-ethenyl-3-methylpyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)tetrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-1,2,4-triazole;tris(1-(4-chloro-2-propan-2-ylphenyl)-4-ethenylpyrazole);1-(4-chloro-2-propan-2-ylphenyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)triazole;N-(4-chloro-2-propan-2-ylphenyl)-2,2,2-trifluoroacetamide;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole;methyl N-(4-chloro-3-fluoro-2-propan-2-ylphenyl)carbamate;methyl N-(4-chloro-2-propan-2-ylphenyl)carbamate?

The canonical SMILES for N-benzyl-4-chloro-2-propan-2-ylbenzamide;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-ethenyl-3-methylpyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)tetrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-1,2,4-triazole;tris(1-(4-chloro-2-propan-2-ylphenyl)-4-ethenylpyrazole);1-(4-chloro-2-propan-2-ylphenyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)triazole;N-(4-chloro-2-propan-2-ylphenyl)-2,2,2-trifluoroacetamide;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole;methyl N-(4-chloro-3-fluoro-2-propan-2-ylphenyl)carbamate;methyl N-(4-chloro-2-propan-2-ylphenyl)carbamate is C=Cc1cn(-c2ccc(Cl)c(F)c2C(C)C)nc1C.C=Cc1cnn(-c2ccc(Cl)cc2C(C)C)c1.C=Cc1cnn(-c2ccc(Cl)cc2C(C)C)c1.C=Cc1cnn(-c2ccc(Cl)cc2C(C)C)c1.CC(C)c1c(-n2cncn2)ccc(Cl)c1F.CC(C)c1c(-n2cnnn2)ccc(Cl)c1F.CC(C)c1cc(Cl)ccc1-n1ccnc1.CC(C)c1cc(Cl)ccc1-n1ccnn1.CC(C)c1cc(Cl)ccc1-n1cnc(C(F)(F)F)c1.CC(C)c1cc(Cl)ccc1C(=O)NCc1ccccc1.CC(C)c1cc(Cl)ccc1NC(=O)C(F)(F)F.COC(=O)Nc1ccc(Cl)c(F)c1C(C)C.COC(=O)Nc1ccc(Cl)cc1C(C)C.Cc1cn(-c2ccc(Cl)cc2C(C)C)cn1.

What is the InChIKey of N-benzyl-4-chloro-2-propan-2-ylbenzamide;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-ethenyl-3-methylpyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)tetrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-1,2,4-triazole;tris(1-(4-chloro-2-propan-2-ylphenyl)-4-ethenylpyrazole);1-(4-chloro-2-propan-2-ylphenyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)triazole;N-(4-chloro-2-propan-2-ylphenyl)-2,2,2-trifluoroacetamide;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole;methyl N-(4-chloro-3-fluoro-2-propan-2-ylphenyl)carbamate;methyl N-(4-chloro-2-propan-2-ylphenyl)carbamate?

The InChIKey is NKHKQKVEJSWNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO.C15H16ClFN2.3C14H15ClN2.C13H12ClF3N2.C13H15ClN2.C12H13ClN2.C11H11ClF3NO.C11H11ClFN3.C11H13ClFNO2.C11H12ClN3.C11H14ClNO2.C10H10ClFN4/c1-12(2)16-10-14(18)8-9-15(16)17(20)19-11-13-6-4-3-5-7-13;1-5-11-8-19(18-10(11)4)13-7-6-12(16)15(17)14(13)9(2)3;3*1-4-11-8-16-17(9-11)14-6-5-12(15)7-13(14)10(2)3;1-8(2)10-5-9(14)3-4-11(10)19-6-12(18-7-19)13(15,16)17;1-9(2)12-6-11(14)4-5-13(12)16-7-10(3)15-8-16;1-9(2)11-7-10(13)3-4-12(11)15-6-5-14-8-15;1-6(2)8-5-7(12)3-4-9(8)16-10(17)11(13,14)15;1-7(2)10-9(16-6-14-5-15-16)4-3-8(12)11(10)13;1-6(2)9-8(14-11(15)16-3)5-4-7(12)10(9)13;1-8(2)10-7-9(12)3-4-11(10)15-6-5-13-14-15;1-7(2)9-6-8(12)4-5-10(9)13-11(14)15-3;1-6(2)9-8(16-5-13-14-15-16)4-3-7(11)10(9)12/h3-10,12H,11H2,1-2H3,(H,19,20);5-9H,1H2,2-4H3;3*4-10H,1H2,2-3H3;3-8H,1-2H3;4-9H,1-3H3;3-9H,1-2H3;3-6H,1-2H3,(H,16,17);3-7H,1-2H3;4-6H,1-3H3,(H,14,15);3-8H,1-2H3;4-7H,1-3H3,(H,13,14);3-6H,1-2H3.

What are the key properties of N-benzyl-4-chloro-2-propan-2-ylbenzamide;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-ethenyl-3-methylpyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)tetrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-1,2,4-triazole;tris(1-(4-chloro-2-propan-2-ylphenyl)-4-ethenylpyrazole);1-(4-chloro-2-propan-2-ylphenyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)triazole;N-(4-chloro-2-propan-2-ylphenyl)-2,2,2-trifluoroacetamide;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole;methyl N-(4-chloro-3-fluoro-2-propan-2-ylphenyl)carbamate;methyl N-(4-chloro-2-propan-2-ylphenyl)carbamate?

N-benzyl-4-chloro-2-propan-2-ylbenzamide;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-ethenyl-3-methylpyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)tetrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-1,2,4-triazole;tris(1-(4-chloro-2-propan-2-ylphenyl)-4-ethenylpyrazole);1-(4-chloro-2-propan-2-ylphenyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)triazole;N-(4-chloro-2-propan-2-ylphenyl)-2,2,2-trifluoroacetamide;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole;methyl N-(4-chloro-3-fluoro-2-propan-2-ylphenyl)carbamate;methyl N-(4-chloro-2-propan-2-ylphenyl)carbamate has a molecular weight of 3491.98 g/mol, XLogP of 54.48, 34 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-4-chloro-2-propan-2-ylbenzamide;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-ethenyl-3-methylpyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)tetrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-1,2,4-triazole;tris(1-(4-chloro-2-propan-2-ylphenyl)-4-ethenylpyrazole);1-(4-chloro-2-propan-2-ylphenyl)imidazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylimidazole;1-(4-chloro-2-propan-2-ylphenyl)triazole;N-(4-chloro-2-propan-2-ylphenyl)-2,2,2-trifluoroacetamide;1-(4-chloro-2-propan-2-ylphenyl)-4-(trifluoromethyl)imidazole;methyl N-(4-chloro-3-fluoro-2-propan-2-ylphenyl)carbamate;methyl N-(4-chloro-2-propan-2-ylphenyl)carbamate is sourced from PubChem (CID 159805174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).