N-[4-[2-(2-hydroxyethyl)phenyl]-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide

C23H18F6N2O2 — CID 86670723

IUPACN-[4-[2-(2-hydroxyethyl)phenyl]-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
SMILESCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnccc1-c1ccccc1CCO
InChIInChI=1S/C23H18F6N2O2/c1-31(20-13-30-8-6-19(20)18-5-3-2-4-14(18)7-9-32)21(33)15-10-16(22(24,25)26)12-17(11-15)23(27,28)29/h2-6,8,10-13,32H,7,9H2,1H3
InChIKeyXAZNHNSBXBSRGV-UHFFFAOYSA-N
MW468.40 g/mol
LogP5.60
Rot. Bonds5

About N-[4-[2-(2-hydroxyethyl)phenyl]-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide

N-[4-[2-(2-hydroxyethyl)phenyl]-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide (PubChem CID 86670723) has the molecular formula C23H18F6N2O2 and a molecular weight of 468.40 g/mol. Its IUPAC name is N-[4-[2-(2-hydroxyethyl)phenyl]-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-[2-(2-hydroxyethyl)phenyl]-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
PubChem CID86670723
Molecular FormulaC23H18F6N2O2
Molecular Weight468.40 g/mol
Exact Mass468.13
IUPAC NameN-[4-[2-(2-hydroxyethyl)phenyl]-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
SMILESCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnccc1-c1ccccc1CCO
InChIInChI=1S/C23H18F6N2O2/c1-31(20-13-30-8-6-19(20)18-5-3-2-4-14(18)7-9-32)21(33)15-10-16(22(24,25)26)12-17(11-15)23(27,28)29/h2-6,8,10-13,32H,7,9H2,1H3
InChIKeyXAZNHNSBXBSRGV-UHFFFAOYSA-N
XLogP5.60
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.40
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-hydroxyethyl)phenyl]-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[4-[2-(2-hydroxyethyl)phenyl]-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide (CID 86670723) is N-[4-[2-(2-hydroxyethyl)phenyl]-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-[2-(2-hydroxyethyl)phenyl]-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-[2-(2-hydroxyethyl)phenyl]-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide is CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnccc1-c1ccccc1CCO.
What is the InChIKey of N-[4-[2-(2-hydroxyethyl)phenyl]-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is XAZNHNSBXBSRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F6N2O2/c1-31(20-13-30-8-6-19(20)18-5-3-2-4-14(18)7-9-32)21(33)15-10-16(22(24,25)26)12-17(11-15)23(27,28)29/h2-6,8,10-13,32H,7,9H2,1H3.
What are the key properties of N-[4-[2-(2-hydroxyethyl)phenyl]-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide?
N-[4-[2-(2-hydroxyethyl)phenyl]-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 468.40 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-hydroxyethyl)phenyl]-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 86670723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).