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

C31H25ClF6N2O2 — CID 23502799

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-phenylmethoxy-3-pyridinyl]-N,2-dimethylpropanamide
SMILESCN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(OCc2ccccc2)cc1-c1ccccc1Cl
InChIInChI=1S/C31H25ClF6N2O2/c1-29(2,20-13-21(30(33,34)35)15-22(14-20)31(36,37)38)28(41)40(3)26-17-39-27(42-18-19-9-5-4-6-10-19)16-24(26)23-11-7-8-12-25(23)32/h4-17H,18H2,1-3H3
InChIKeyWKKQGHDXOQQASH-UHFFFAOYSA-N
MW606.99 g/mol
LogP8.96
Rot. Bonds7

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

2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-phenylmethoxy-3-pyridinyl]-N,2-dimethylpropanamide (PubChem CID 23502799) has the molecular formula C31H25ClF6N2O2 and a molecular weight of 606.99 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-phenylmethoxy-3-pyridinyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-phenylmethoxy-3-pyridinyl]-N,2-dimethylpropanamide
PubChem CID23502799
Molecular FormulaC31H25ClF6N2O2
Molecular Weight606.99 g/mol
Exact Mass606.15
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-phenylmethoxy-3-pyridinyl]-N,2-dimethylpropanamide
SMILESCN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(OCc2ccccc2)cc1-c1ccccc1Cl
InChIInChI=1S/C31H25ClF6N2O2/c1-29(2,20-13-21(30(33,34)35)15-22(14-20)31(36,37)38)28(41)40(3)26-17-39-27(42-18-19-9-5-4-6-10-19)16-24(26)23-11-7-8-12-25(23)32/h4-17H,18H2,1-3H3
InChIKeyWKKQGHDXOQQASH-UHFFFAOYSA-N
XLogP8.96
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.99
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-phenylmethoxy-3-pyridinyl]-N,2-dimethylpropanamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-phenylmethoxy-3-pyridinyl]-N,2-dimethylpropanamide (CID 23502799) is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-phenylmethoxy-3-pyridinyl]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-phenylmethoxy-3-pyridinyl]-N,2-dimethylpropanamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-phenylmethoxy-3-pyridinyl]-N,2-dimethylpropanamide is CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(OCc2ccccc2)cc1-c1ccccc1Cl.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-phenylmethoxy-3-pyridinyl]-N,2-dimethylpropanamide?
The InChIKey is WKKQGHDXOQQASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25ClF6N2O2/c1-29(2,20-13-21(30(33,34)35)15-22(14-20)31(36,37)38)28(41)40(3)26-17-39-27(42-18-19-9-5-4-6-10-19)16-24(26)23-11-7-8-12-25(23)32/h4-17H,18H2,1-3H3.
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-phenylmethoxy-3-pyridinyl]-N,2-dimethylpropanamide?
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-phenylmethoxy-3-pyridinyl]-N,2-dimethylpropanamide has a molecular weight of 606.99 g/mol, XLogP of 8.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-phenylmethoxy-3-pyridinyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 23502799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).