2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-[2-hydroxyethyl(propyl)amino]-3-pyridinyl]-N,2-dimethylpropanamide

C29H30ClF6N3O2 — CID 11353915

About 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-[2-hydroxyethyl(propyl)amino]-3-pyridinyl]-N,2-dimethylpropanamide

2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-[2-hydroxyethyl(propyl)amino]-3-pyridinyl]-N,2-dimethylpropanamide (PubChem CID 11353915) has the molecular formula C29H30ClF6N3O2 and a molecular weight of 602.02 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-[2-hydroxyethyl(propyl)amino]-3-pyridinyl]-N,2-dimethylpropanamide.

Molecular Properties

• Compound Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-[2-hydroxyethyl(propyl)amino]-3-pyridinyl]-N,2-dimethylpropanamide
• PubChem CID: 11353915
• Molecular Formula: C29H30ClF6N3O2
• Molecular Weight: 602.02 g/mol
• Exact Mass: 601.19
• IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-[2-hydroxyethyl(propyl)amino]-3-pyridinyl]-N,2-dimethylpropanamide
• SMILES: CCCN(CCO)c1cc(-c2ccccc2Cl)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1
• InChI: InChI=1S/C29H30ClF6N3O2/c1-5-10-39(11-12-40)25-16-22(21-8-6-7-9-23(21)30)24(17-37-25)38(4)26(41)27(2,3)18-13-19(28(31,32)33)15-20(14-18)29(34,35)36/h6-9,13-17,40H,5,10-12H2,1-4H3
• InChIKey: VPPFVSVLCATXPY-UHFFFAOYSA-N
• XLogP: 7.59
• TPSA: 56.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.02
LogP ≤ 5	7.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-[2-hydroxyethyl(propyl)amino]-3-pyridinyl]-N,2-dimethylpropanamide?

The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-[2-hydroxyethyl(propyl)amino]-3-pyridinyl]-N,2-dimethylpropanamide (CID 11353915) is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-[2-hydroxyethyl(propyl)amino]-3-pyridinyl]-N,2-dimethylpropanamide.

What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-[2-hydroxyethyl(propyl)amino]-3-pyridinyl]-N,2-dimethylpropanamide?

The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-[2-hydroxyethyl(propyl)amino]-3-pyridinyl]-N,2-dimethylpropanamide is CCCN(CCO)c1cc(-c2ccccc2Cl)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1.

What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-[2-hydroxyethyl(propyl)amino]-3-pyridinyl]-N,2-dimethylpropanamide?

The InChIKey is VPPFVSVLCATXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClF6N3O2/c1-5-10-39(11-12-40)25-16-22(21-8-6-7-9-23(21)30)24(17-37-25)38(4)26(41)27(2,3)18-13-19(28(31,32)33)15-20(14-18)29(34,35)36/h6-9,13-17,40H,5,10-12H2,1-4H3.

What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-[2-hydroxyethyl(propyl)amino]-3-pyridinyl]-N,2-dimethylpropanamide?

2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-[2-hydroxyethyl(propyl)amino]-3-pyridinyl]-N,2-dimethylpropanamide has a molecular weight of 602.02 g/mol, XLogP of 7.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-[2-hydroxyethyl(propyl)amino]-3-pyridinyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 11353915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).