3-(4-chlorophenyl)-N-(2-cyclopropylpropan-2-yl)-5-(2-methyl-3-pyridinyl)benzamide;3-(4-chlorophenyl)-N-(2-cyclopropylpropan-2-yl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide;N-(2-cyclopropylpropan-2-yl)-3-(4-fluorophenyl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide

C77H81Cl2FN8O3 — CID 126572686

About 3-(4-chlorophenyl)-N-(2-cyclopropylpropan-2-yl)-5-(2-methyl-3-pyridinyl)benzamide;3-(4-chlorophenyl)-N-(2-cyclopropylpropan-2-yl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide;N-(2-cyclopropylpropan-2-yl)-3-(4-fluorophenyl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide

3-(4-chlorophenyl)-N-(2-cyclopropylpropan-2-yl)-5-(2-methyl-3-pyridinyl)benzamide;3-(4-chlorophenyl)-N-(2-cyclopropylpropan-2-yl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide;N-(2-cyclopropylpropan-2-yl)-3-(4-fluorophenyl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide (PubChem CID 126572686) has the molecular formula C77H81Cl2FN8O3 and a molecular weight of 1256.45 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2-cyclopropylpropan-2-yl)-5-(2-methyl-3-pyridinyl)benzamide;3-(4-chlorophenyl)-N-(2-cyclopropylpropan-2-yl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide;N-(2-cyclopropylpropan-2-yl)-3-(4-fluorophenyl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide.

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)-N-(2-cyclopropylpropan-2-yl)-5-(2-methyl-3-pyridinyl)benzamide;3-(4-chlorophenyl)-N-(2-cyclopropylpropan-2-yl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide;N-(2-cyclopropylpropan-2-yl)-3-(4-fluorophenyl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide
• PubChem CID: 126572686
• Molecular Formula: C77H81Cl2FN8O3
• Molecular Weight: 1256.45 g/mol
• Exact Mass: 1254.58
• IUPAC Name: 3-(4-chlorophenyl)-N-(2-cyclopropylpropan-2-yl)-5-(2-methyl-3-pyridinyl)benzamide;3-(4-chlorophenyl)-N-(2-cyclopropylpropan-2-yl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide;N-(2-cyclopropylpropan-2-yl)-3-(4-fluorophenyl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide
• SMILES: CC(C)c1ncncc1-c1cc(C(=O)NC(C)(C)C2CC2)cc(-c2ccc(Cl)cc2)c1.CC(C)c1ncncc1-c1cc(C(=O)NC(C)(C)C2CC2)cc(-c2ccc(F)cc2)c1.Cc1ncccc1-c1cc(C(=O)NC(C)(C)C2CC2)cc(-c2ccc(Cl)cc2)c1
• InChI: InChI=1S/C26H28ClN3O.C26H28FN3O.C25H25ClN2O/c2*1-16(2)24-23(14-28-15-29-24)19-11-18(17-5-9-22(27)10-6-17)12-20(13-19)25(31)30-26(3,4)21-7-8-21;1-16-23(5-4-12-27-16)19-13-18(17-6-10-22(26)11-7-17)14-20(15-19)24(29)28-25(2,3)21-8-9-21/h2*5-6,9-16,21H,7-8H2,1-4H3,(H,30,31);4-7,10-15,21H,8-9H2,1-3H3,(H,28,29)
• InChIKey: CHCJUESODRSBAQ-UHFFFAOYSA-N
• XLogP: 18.79
• TPSA: 151.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1256.45
LogP ≤ 5	18.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(2-cyclopropylpropan-2-yl)-5-(2-methyl-3-pyridinyl)benzamide;3-(4-chlorophenyl)-N-(2-cyclopropylpropan-2-yl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide;N-(2-cyclopropylpropan-2-yl)-3-(4-fluorophenyl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide?

The IUPAC name of 3-(4-chlorophenyl)-N-(2-cyclopropylpropan-2-yl)-5-(2-methyl-3-pyridinyl)benzamide;3-(4-chlorophenyl)-N-(2-cyclopropylpropan-2-yl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide;N-(2-cyclopropylpropan-2-yl)-3-(4-fluorophenyl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide (CID 126572686) is 3-(4-chlorophenyl)-N-(2-cyclopropylpropan-2-yl)-5-(2-methyl-3-pyridinyl)benzamide;3-(4-chlorophenyl)-N-(2-cyclopropylpropan-2-yl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide;N-(2-cyclopropylpropan-2-yl)-3-(4-fluorophenyl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide.

What is the SMILES notation for 3-(4-chlorophenyl)-N-(2-cyclopropylpropan-2-yl)-5-(2-methyl-3-pyridinyl)benzamide;3-(4-chlorophenyl)-N-(2-cyclopropylpropan-2-yl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide;N-(2-cyclopropylpropan-2-yl)-3-(4-fluorophenyl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide?

The canonical SMILES for 3-(4-chlorophenyl)-N-(2-cyclopropylpropan-2-yl)-5-(2-methyl-3-pyridinyl)benzamide;3-(4-chlorophenyl)-N-(2-cyclopropylpropan-2-yl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide;N-(2-cyclopropylpropan-2-yl)-3-(4-fluorophenyl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide is CC(C)c1ncncc1-c1cc(C(=O)NC(C)(C)C2CC2)cc(-c2ccc(Cl)cc2)c1.CC(C)c1ncncc1-c1cc(C(=O)NC(C)(C)C2CC2)cc(-c2ccc(F)cc2)c1.Cc1ncccc1-c1cc(C(=O)NC(C)(C)C2CC2)cc(-c2ccc(Cl)cc2)c1.

What is the InChIKey of 3-(4-chlorophenyl)-N-(2-cyclopropylpropan-2-yl)-5-(2-methyl-3-pyridinyl)benzamide;3-(4-chlorophenyl)-N-(2-cyclopropylpropan-2-yl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide;N-(2-cyclopropylpropan-2-yl)-3-(4-fluorophenyl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide?

The InChIKey is CHCJUESODRSBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O.C26H28FN3O.C25H25ClN2O/c2*1-16(2)24-23(14-28-15-29-24)19-11-18(17-5-9-22(27)10-6-17)12-20(13-19)25(31)30-26(3,4)21-7-8-21;1-16-23(5-4-12-27-16)19-13-18(17-6-10-22(26)11-7-17)14-20(15-19)24(29)28-25(2,3)21-8-9-21/h2*5-6,9-16,21H,7-8H2,1-4H3,(H,30,31);4-7,10-15,21H,8-9H2,1-3H3,(H,28,29).

What are the key properties of 3-(4-chlorophenyl)-N-(2-cyclopropylpropan-2-yl)-5-(2-methyl-3-pyridinyl)benzamide;3-(4-chlorophenyl)-N-(2-cyclopropylpropan-2-yl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide;N-(2-cyclopropylpropan-2-yl)-3-(4-fluorophenyl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide?

3-(4-chlorophenyl)-N-(2-cyclopropylpropan-2-yl)-5-(2-methyl-3-pyridinyl)benzamide;3-(4-chlorophenyl)-N-(2-cyclopropylpropan-2-yl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide;N-(2-cyclopropylpropan-2-yl)-3-(4-fluorophenyl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide has a molecular weight of 1256.45 g/mol, XLogP of 18.79, 17 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)-N-(2-cyclopropylpropan-2-yl)-5-(2-methyl-3-pyridinyl)benzamide;3-(4-chlorophenyl)-N-(2-cyclopropylpropan-2-yl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide;N-(2-cyclopropylpropan-2-yl)-3-(4-fluorophenyl)-5-(4-propan-2-ylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 126572686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).