N-cyclopropyl-N-[4-[(4R)-3,4-dihydropyridin-4-yl]cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide

C24H29F3N2O2 — CID 70966342

About N-cyclopropyl-N-[4-[(4R)-3,4-dihydropyridin-4-yl]cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide

N-cyclopropyl-N-[4-[(4R)-3,4-dihydropyridin-4-yl]cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (PubChem CID 70966342) has the molecular formula C24H29F3N2O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-cyclopropyl-N-[4-[(4R)-3,4-dihydropyridin-4-yl]cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[4-[(4R)-3,4-dihydropyridin-4-yl]cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
• PubChem CID: 70966342
• Molecular Formula: C24H29F3N2O2
• Molecular Weight: 434.50 g/mol
• Exact Mass: 434.22
• IUPAC Name: N-cyclopropyl-N-[4-[(4R)-3,4-dihydropyridin-4-yl]cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
• SMILES: C[C@](O)(c1ccc(C(=O)N(C2CCC([C@@H]3C=CN=CC3)CC2)C2CC2)cc1)C(F)(F)F
• InChI: InChI=1S/C24H29F3N2O2/c1-23(31,24(25,26)27)19-6-2-18(3-7-19)22(30)29(21-10-11-21)20-8-4-16(5-9-20)17-12-14-28-15-13-17/h2-3,6-7,12,14-17,20-21,31H,4-5,8-11,13H2,1H3/t16?,17-,20?,23+/m1/s1
• InChIKey: GWVNNVVXJKYOKB-NSBWXGSSSA-N
• XLogP: 5.22
• TPSA: 52.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.50
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[4-[(4R)-3,4-dihydropyridin-4-yl]cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?

The IUPAC name of N-cyclopropyl-N-[4-[(4R)-3,4-dihydropyridin-4-yl]cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (CID 70966342) is N-cyclopropyl-N-[4-[(4R)-3,4-dihydropyridin-4-yl]cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.

What is the SMILES notation for N-cyclopropyl-N-[4-[(4R)-3,4-dihydropyridin-4-yl]cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?

The canonical SMILES for N-cyclopropyl-N-[4-[(4R)-3,4-dihydropyridin-4-yl]cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is C[C@](O)(c1ccc(C(=O)N(C2CCC([C@@H]3C=CN=CC3)CC2)C2CC2)cc1)C(F)(F)F.

What is the InChIKey of N-cyclopropyl-N-[4-[(4R)-3,4-dihydropyridin-4-yl]cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?

The InChIKey is GWVNNVVXJKYOKB-NSBWXGSSSA-N. The full InChI is InChI=1S/C24H29F3N2O2/c1-23(31,24(25,26)27)19-6-2-18(3-7-19)22(30)29(21-10-11-21)20-8-4-16(5-9-20)17-12-14-28-15-13-17/h2-3,6-7,12,14-17,20-21,31H,4-5,8-11,13H2,1H3/t16?,17-,20?,23+/m1/s1.

What are the key properties of N-cyclopropyl-N-[4-[(4R)-3,4-dihydropyridin-4-yl]cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?

N-cyclopropyl-N-[4-[(4R)-3,4-dihydropyridin-4-yl]cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide has a molecular weight of 434.50 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[4-[(4R)-3,4-dihydropyridin-4-yl]cyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is sourced from PubChem (CID 70966342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).