N-(2-hydroxyethyl)-2-methyl-3-[[4-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]amino]benzamide

C23H22F3N3O2 — CID 164735174

IUPACN-(2-hydroxyethyl)-2-methyl-3-[[4-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]amino]benzamide
SMILESCc1c(Nc2cc(Cc3ccccc3C(F)(F)F)ccn2)cccc1C(=O)NCCO
InChIInChI=1S/C23H22F3N3O2/c1-15-18(22(31)28-11-12-30)6-4-8-20(15)29-21-14-16(9-10-27-21)13-17-5-2-3-7-19(17)23(24,25)26/h2-10,14,30H,11-13H2,1H3,(H,27,29)(H,28,31)
InChIKeyVAQDUUASAIBXIQ-UHFFFAOYSA-N
MW429.44 g/mol
LogP4.47
Rot. Bonds7

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

N-(2-hydroxyethyl)-2-methyl-3-[[4-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]amino]benzamide (PubChem CID 164735174) has the molecular formula C23H22F3N3O2 and a molecular weight of 429.44 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methyl-3-[[4-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methyl-3-[[4-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]amino]benzamide
PubChem CID164735174
Molecular FormulaC23H22F3N3O2
Molecular Weight429.44 g/mol
Exact Mass429.17
IUPAC NameN-(2-hydroxyethyl)-2-methyl-3-[[4-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]amino]benzamide
SMILESCc1c(Nc2cc(Cc3ccccc3C(F)(F)F)ccn2)cccc1C(=O)NCCO
InChIInChI=1S/C23H22F3N3O2/c1-15-18(22(31)28-11-12-30)6-4-8-20(15)29-21-14-16(9-10-27-21)13-17-5-2-3-7-19(17)23(24,25)26/h2-10,14,30H,11-13H2,1H3,(H,27,29)(H,28,31)
InChIKeyVAQDUUASAIBXIQ-UHFFFAOYSA-N
XLogP4.47
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methyl-3-[[4-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]amino]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-2-methyl-3-[[4-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]amino]benzamide (CID 164735174) is N-(2-hydroxyethyl)-2-methyl-3-[[4-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]amino]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methyl-3-[[4-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]amino]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-methyl-3-[[4-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]amino]benzamide is Cc1c(Nc2cc(Cc3ccccc3C(F)(F)F)ccn2)cccc1C(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-methyl-3-[[4-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]amino]benzamide?
The InChIKey is VAQDUUASAIBXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O2/c1-15-18(22(31)28-11-12-30)6-4-8-20(15)29-21-14-16(9-10-27-21)13-17-5-2-3-7-19(17)23(24,25)26/h2-10,14,30H,11-13H2,1H3,(H,27,29)(H,28,31).
What are the key properties of N-(2-hydroxyethyl)-2-methyl-3-[[4-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]amino]benzamide?
N-(2-hydroxyethyl)-2-methyl-3-[[4-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]amino]benzamide has a molecular weight of 429.44 g/mol, XLogP of 4.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methyl-3-[[4-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]amino]benzamide is sourced from PubChem (CID 164735174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).