N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide

C16H11F6NO2 — CID 1188393

IUPACN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H11F6NO2/c17-15(18,19)14(25,16(20,21)22)11-6-8-12(9-7-11)23-13(24)10-4-2-1-3-5-10/h1-9,25H,(H,23,24)
InChIKeyQYOBPISPXIUKPV-UHFFFAOYSA-N
MW363.26 g/mol
LogP4.25
Rot. Bonds3

About N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide

N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide (PubChem CID 1188393) has the molecular formula C16H11F6NO2 and a molecular weight of 363.26 g/mol. Its IUPAC name is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide
PubChem CID1188393
Molecular FormulaC16H11F6NO2
Molecular Weight363.26 g/mol
Exact Mass363.07
IUPAC NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H11F6NO2/c17-15(18,19)14(25,16(20,21)22)11-6-8-12(9-7-11)23-13(24)10-4-2-1-3-5-10/h1-9,25H,(H,23,24)
InChIKeyQYOBPISPXIUKPV-UHFFFAOYSA-N
XLogP4.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

p-Acetamidobenzoic acid
CID 19266
Acoziborole
CID 44178354
N-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)phenyl)-4-(trifluoromethyl)benzamide
CID 17980288
Kartogenin
CID 2826191
4-(Benzoylamino)benzoic acid
CID 252597
N-(3-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 1259866
3-((4-(Trifluoromethyl)Phenyl)Amino)Benzoic Acid
CID 51346826
4-{[(1-Phenylcyclopentyl)carbonyl]amino}benzoic acid
CID 933525
4-(4-Oxo-4-phenyl-butyrylamino)-benzoic acid
CID 817188
N-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)phenyl)acetamide
CID 2323445
N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide
CID 46196110
4-[(Diphenylacetyl)amino]benzoic acid
CID 670527

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide?
The IUPAC name of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide (CID 1188393) is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide.
What is the SMILES notation for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide?
The canonical SMILES for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide is O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide?
The InChIKey is QYOBPISPXIUKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F6NO2/c17-15(18,19)14(25,16(20,21)22)11-6-8-12(9-7-11)23-13(24)10-4-2-1-3-5-10/h1-9,25H,(H,23,24).
What are the key properties of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide?
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide has a molecular weight of 363.26 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide is sourced from PubChem (CID 1188393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).