2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(pyridin-3-ylmethoxy)-3-pyridinyl]-N,2-dimethylpropanamide

C30H24ClF6N3O2 — CID 23502846

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(pyridin-3-ylmethoxy)-3-pyridinyl]-N,2-dimethylpropanamide
SMILESCN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(OCc2cccnc2)cc1-c1ccccc1Cl
InChIInChI=1S/C30H24ClF6N3O2/c1-28(2,19-11-20(29(32,33)34)13-21(12-19)30(35,36)37)27(41)40(3)25-16-39-26(42-17-18-7-6-10-38-15-18)14-23(25)22-8-4-5-9-24(22)31/h4-16H,17H2,1-3H3
InChIKeyIMPIBOIAEOWIBS-UHFFFAOYSA-N
MW607.98 g/mol
LogP8.35
Rot. Bonds7

About 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(pyridin-3-ylmethoxy)-3-pyridinyl]-N,2-dimethylpropanamide

2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(pyridin-3-ylmethoxy)-3-pyridinyl]-N,2-dimethylpropanamide (PubChem CID 23502846) has the molecular formula C30H24ClF6N3O2 and a molecular weight of 607.98 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(pyridin-3-ylmethoxy)-3-pyridinyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(pyridin-3-ylmethoxy)-3-pyridinyl]-N,2-dimethylpropanamide
PubChem CID23502846
Molecular FormulaC30H24ClF6N3O2
Molecular Weight607.98 g/mol
Exact Mass607.15
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(pyridin-3-ylmethoxy)-3-pyridinyl]-N,2-dimethylpropanamide
SMILESCN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(OCc2cccnc2)cc1-c1ccccc1Cl
InChIInChI=1S/C30H24ClF6N3O2/c1-28(2,19-11-20(29(32,33)34)13-21(12-19)30(35,36)37)27(41)40(3)25-16-39-26(42-17-18-7-6-10-38-15-18)14-23(25)22-8-4-5-9-24(22)31/h4-16H,17H2,1-3H3
InChIKeyIMPIBOIAEOWIBS-UHFFFAOYSA-N
XLogP8.35
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.98
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(pyridin-3-ylmethoxy)-3-pyridinyl]-N,2-dimethylpropanamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(pyridin-3-ylmethoxy)-3-pyridinyl]-N,2-dimethylpropanamide (CID 23502846) is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(pyridin-3-ylmethoxy)-3-pyridinyl]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(pyridin-3-ylmethoxy)-3-pyridinyl]-N,2-dimethylpropanamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(pyridin-3-ylmethoxy)-3-pyridinyl]-N,2-dimethylpropanamide is CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(OCc2cccnc2)cc1-c1ccccc1Cl.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(pyridin-3-ylmethoxy)-3-pyridinyl]-N,2-dimethylpropanamide?
The InChIKey is IMPIBOIAEOWIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClF6N3O2/c1-28(2,19-11-20(29(32,33)34)13-21(12-19)30(35,36)37)27(41)40(3)25-16-39-26(42-17-18-7-6-10-38-15-18)14-23(25)22-8-4-5-9-24(22)31/h4-16H,17H2,1-3H3.
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(pyridin-3-ylmethoxy)-3-pyridinyl]-N,2-dimethylpropanamide?
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(pyridin-3-ylmethoxy)-3-pyridinyl]-N,2-dimethylpropanamide has a molecular weight of 607.98 g/mol, XLogP of 8.35, 7 rotatable bonds, 0 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-(pyridin-3-ylmethoxy)-3-pyridinyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 23502846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).