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

C27H21F4NO2 — CID 10276741

IUPACN-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide
SMILESO=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1)c1cccc2ccccc12
InChIInChI=1S/C27H21F4NO2/c28-21-14-10-19(11-15-21)25(33)24(16-17-8-12-20(13-9-17)27(29,30)31)32-26(34)23-7-3-5-18-4-1-2-6-22(18)23/h1-15,24-25,33H,16H2,(H,32,34)
InChIKeyLXUWADIPZLQSAD-UHFFFAOYSA-N
MW467.46 g/mol
LogP6.07
Rot. Bonds6

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

N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide (PubChem CID 10276741) has the molecular formula C27H21F4NO2 and a molecular weight of 467.46 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide
PubChem CID10276741
Molecular FormulaC27H21F4NO2
Molecular Weight467.46 g/mol
Exact Mass467.15
IUPAC NameN-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide
SMILESO=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1)c1cccc2ccccc12
InChIInChI=1S/C27H21F4NO2/c28-21-14-10-19(11-15-21)25(33)24(16-17-8-12-20(13-9-17)27(29,30)31)32-26(34)23-7-3-5-18-4-1-2-6-22(18)23/h1-15,24-25,33H,16H2,(H,32,34)
InChIKeyLXUWADIPZLQSAD-UHFFFAOYSA-N
XLogP6.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.46
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide (CID 10276741) is N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide is O=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1)c1cccc2ccccc12.
What is the InChIKey of N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide?
The InChIKey is LXUWADIPZLQSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F4NO2/c28-21-14-10-19(11-15-21)25(33)24(16-17-8-12-20(13-9-17)27(29,30)31)32-26(34)23-7-3-5-18-4-1-2-6-22(18)23/h1-15,24-25,33H,16H2,(H,32,34).
What are the key properties of N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide?
N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide has a molecular weight of 467.46 g/mol, XLogP of 6.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 10276741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).