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GAPICLRKFCHOGZ-UHFFFAOYSA-N

C26H21F3N2O3 — CID 155213929

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESO=C(NC(CO)Cc1ccccn1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C26H21F3N2O3/c27-26(28,29)19-8-10-22(11-9-19)34-24-6-3-4-17-14-18(7-12-23(17)24)25(33)31-21(16-32)15-20-5-1-2-13-30-20/h1-14,21,32H,15-16H2,(H,31,33)
InChIKeyGAPICLRKFCHOGZ-UHFFFAOYSA-N
MW466.46 g/mol
LogP5.38
Rot. Bonds7

About GAPICLRKFCHOGZ-UHFFFAOYSA-N

GAPICLRKFCHOGZ-UHFFFAOYSA-N (PubChem CID 155213929) has the molecular formula C26H21F3N2O3 and a molecular weight of 466.46 g/mol. Its IUPAC name is N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameGAPICLRKFCHOGZ-UHFFFAOYSA-N
PubChem CID155213929
Molecular FormulaC26H21F3N2O3
Molecular Weight466.46 g/mol
Exact Mass466.15
IUPAC NameN-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESO=C(NC(CO)Cc1ccccn1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C26H21F3N2O3/c27-26(28,29)19-8-10-22(11-9-19)34-24-6-3-4-17-14-18(7-12-23(17)24)25(33)31-21(16-32)15-20-5-1-2-13-30-20/h1-14,21,32H,15-16H2,(H,31,33)
InChIKeyGAPICLRKFCHOGZ-UHFFFAOYSA-N
XLogP5.38
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.46
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of GAPICLRKFCHOGZ-UHFFFAOYSA-N?
The IUPAC name of GAPICLRKFCHOGZ-UHFFFAOYSA-N (CID 155213929) is N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.
What is the SMILES notation for GAPICLRKFCHOGZ-UHFFFAOYSA-N?
The canonical SMILES for GAPICLRKFCHOGZ-UHFFFAOYSA-N is O=C(NC(CO)Cc1ccccn1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.
What is the InChIKey of GAPICLRKFCHOGZ-UHFFFAOYSA-N?
The InChIKey is GAPICLRKFCHOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N2O3/c27-26(28,29)19-8-10-22(11-9-19)34-24-6-3-4-17-14-18(7-12-23(17)24)25(33)31-21(16-32)15-20-5-1-2-13-30-20/h1-14,21,32H,15-16H2,(H,31,33).
What are the key properties of GAPICLRKFCHOGZ-UHFFFAOYSA-N?
GAPICLRKFCHOGZ-UHFFFAOYSA-N has a molecular weight of 466.46 g/mol, XLogP of 5.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for GAPICLRKFCHOGZ-UHFFFAOYSA-N is sourced from PubChem (CID 155213929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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