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

C29H23F4NO3 — CID 22261718

IUPACN-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-3-phenoxybenzamide
SMILESO=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C29H23F4NO3/c30-23-15-11-20(12-16-23)27(35)26(17-19-9-13-22(14-10-19)29(31,32)33)34-28(36)21-5-4-8-25(18-21)37-24-6-2-1-3-7-24/h1-16,18,26-27,35H,17H2,(H,34,36)
InChIKeyDGFVETYKQJZBNV-UHFFFAOYSA-N
MW509.50 g/mol
LogP6.71
Rot. Bonds8

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

N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-3-phenoxybenzamide (PubChem CID 22261718) has the molecular formula C29H23F4NO3 and a molecular weight of 509.50 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-3-phenoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-3-phenoxybenzamide
PubChem CID22261718
Molecular FormulaC29H23F4NO3
Molecular Weight509.50 g/mol
Exact Mass509.16
IUPAC NameN-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-3-phenoxybenzamide
SMILESO=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C29H23F4NO3/c30-23-15-11-20(12-16-23)27(35)26(17-19-9-13-22(14-10-19)29(31,32)33)34-28(36)21-5-4-8-25(18-21)37-24-6-2-1-3-7-24/h1-16,18,26-27,35H,17H2,(H,34,36)
InChIKeyDGFVETYKQJZBNV-UHFFFAOYSA-N
XLogP6.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.50
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorobenzoyl)-N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]benzamide
CID 22262341
N-[1-hydroxy-1-(4-phenoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-8,9-dihydro-7H-benzo[7]annulene-4-carboxamide
CID 67291224
3-(4-fluorophenoxy)-N-propan-2-ylbenzamide
CID 12941904
(2S)-3-[4-(4-phenoxyphenyl)phenyl]-2-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]propanoic acid
CID 58718059
N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-4-nitro-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 22262253
N-(2-benzamidoethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide
CID 38231454
3-[3-(trifluoromethyl)phenoxy]benzohydrazide
CID 69484751
N-[(1R,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]benzamide
CID 135065542
4-fluoro-N-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxy-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-yl]naphthalene-1-carboxamide
CID 57454670
2-(4-fluorophenyl)-1-(4-phenoxyphenyl)ethanol
CID 142628862
ethyl 2-[(4-fluorophenyl)methyl]-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoate
CID 22261474
3-chloro-N-[(2S,3S)-1-(4-fluorophenyl)-3-hydroxy-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]benzamide
CID 68609723

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-3-phenoxybenzamide?
The IUPAC name of N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-3-phenoxybenzamide (CID 22261718) is N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-3-phenoxybenzamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-3-phenoxybenzamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-3-phenoxybenzamide is O=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-3-phenoxybenzamide?
The InChIKey is DGFVETYKQJZBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F4NO3/c30-23-15-11-20(12-16-23)27(35)26(17-19-9-13-22(14-10-19)29(31,32)33)34-28(36)21-5-4-8-25(18-21)37-24-6-2-1-3-7-24/h1-16,18,26-27,35H,17H2,(H,34,36).
What are the key properties of N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-3-phenoxybenzamide?
N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-3-phenoxybenzamide has a molecular weight of 509.50 g/mol, XLogP of 6.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 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]-3-phenoxybenzamide is sourced from PubChem (CID 22261718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).