4-fluoro-N-[1-hydroxy-1-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide

C26H20F4N2O2 — CID 22262117

IUPAC4-fluoro-N-[1-hydroxy-1-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide
SMILESO=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccncc1)c1ccc(F)c2ccccc12
InChIInChI=1S/C26H20F4N2O2/c27-22-10-9-21(19-3-1-2-4-20(19)22)25(34)32-23(24(33)17-11-13-31-14-12-17)15-16-5-7-18(8-6-16)26(28,29)30/h1-14,23-24,33H,15H2,(H,32,34)
InChIKeyNORPVHAXRBTFKT-UHFFFAOYSA-N
MW468.45 g/mol
LogP5.47
Rot. Bonds6

About 4-fluoro-N-[1-hydroxy-1-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide

4-fluoro-N-[1-hydroxy-1-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide (PubChem CID 22262117) has the molecular formula C26H20F4N2O2 and a molecular weight of 468.45 g/mol. Its IUPAC name is 4-fluoro-N-[1-hydroxy-1-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[1-hydroxy-1-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide
PubChem CID22262117
Molecular FormulaC26H20F4N2O2
Molecular Weight468.45 g/mol
Exact Mass468.15
IUPAC Name4-fluoro-N-[1-hydroxy-1-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide
SMILESO=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccncc1)c1ccc(F)c2ccccc12
InChIInChI=1S/C26H20F4N2O2/c27-22-10-9-21(19-3-1-2-4-20(19)22)25(34)32-23(24(33)17-11-13-31-14-12-17)15-16-5-7-18(8-6-16)26(28,29)30/h1-14,23-24,33H,15H2,(H,32,34)
InChIKeyNORPVHAXRBTFKT-UHFFFAOYSA-N
XLogP5.47
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.45
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-hydroxy-1-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide?
The IUPAC name of 4-fluoro-N-[1-hydroxy-1-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide (CID 22262117) is 4-fluoro-N-[1-hydroxy-1-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide.
What is the SMILES notation for 4-fluoro-N-[1-hydroxy-1-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide?
The canonical SMILES for 4-fluoro-N-[1-hydroxy-1-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide is O=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccncc1)c1ccc(F)c2ccccc12.
What is the InChIKey of 4-fluoro-N-[1-hydroxy-1-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide?
The InChIKey is NORPVHAXRBTFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F4N2O2/c27-22-10-9-21(19-3-1-2-4-20(19)22)25(34)32-23(24(33)17-11-13-31-14-12-17)15-16-5-7-18(8-6-16)26(28,29)30/h1-14,23-24,33H,15H2,(H,32,34).
What are the key properties of 4-fluoro-N-[1-hydroxy-1-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide?
4-fluoro-N-[1-hydroxy-1-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide has a molecular weight of 468.45 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-hydroxy-1-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 22262117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).