2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[3-(2-methylphenyl)-4-pyridinyl]propanamide

C25H22F6N2O — CID 22000062

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[3-(2-methylphenyl)-4-pyridinyl]propanamide
SMILESCc1ccccc1-c1cnccc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C25H22F6N2O/c1-15-7-5-6-8-19(15)20-14-32-10-9-21(20)33(4)22(34)23(2,3)16-11-17(24(26,27)28)13-18(12-16)25(29,30)31/h5-14H,1-4H3
InChIKeyWRKCFWQULJFVBO-UHFFFAOYSA-N
MW480.45 g/mol
LogP7.04
Rot. Bonds4

About 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[3-(2-methylphenyl)-4-pyridinyl]propanamide

2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[3-(2-methylphenyl)-4-pyridinyl]propanamide (PubChem CID 22000062) has the molecular formula C25H22F6N2O and a molecular weight of 480.45 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[3-(2-methylphenyl)-4-pyridinyl]propanamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[3-(2-methylphenyl)-4-pyridinyl]propanamide
PubChem CID22000062
Molecular FormulaC25H22F6N2O
Molecular Weight480.45 g/mol
Exact Mass480.16
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[3-(2-methylphenyl)-4-pyridinyl]propanamide
SMILESCc1ccccc1-c1cnccc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C25H22F6N2O/c1-15-7-5-6-8-19(15)20-14-32-10-9-21(20)33(4)22(34)23(2,3)16-11-17(24(26,27)28)13-18(12-16)25(29,30)31/h5-14H,1-4H3
InChIKeyWRKCFWQULJFVBO-UHFFFAOYSA-N
XLogP7.04
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.45
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[3-(2-methylphenyl)-4-pyridinyl]propanamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[3-(2-methylphenyl)-4-pyridinyl]propanamide (CID 22000062) is 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[3-(2-methylphenyl)-4-pyridinyl]propanamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[3-(2-methylphenyl)-4-pyridinyl]propanamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[3-(2-methylphenyl)-4-pyridinyl]propanamide is Cc1ccccc1-c1cnccc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[3-(2-methylphenyl)-4-pyridinyl]propanamide?
The InChIKey is WRKCFWQULJFVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F6N2O/c1-15-7-5-6-8-19(15)20-14-32-10-9-21(20)33(4)22(34)23(2,3)16-11-17(24(26,27)28)13-18(12-16)25(29,30)31/h5-14H,1-4H3.
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[3-(2-methylphenyl)-4-pyridinyl]propanamide?
2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[3-(2-methylphenyl)-4-pyridinyl]propanamide has a molecular weight of 480.45 g/mol, XLogP of 7.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[3-(2-methylphenyl)-4-pyridinyl]propanamide is sourced from PubChem (CID 22000062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).