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

C16H10ClF6NO2 — CID 21179063

IUPAC4-chloro-N-[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)c1ccc(Cl)cc1
InChIInChI=1S/C16H10ClF6NO2/c17-11-5-1-9(2-6-11)13(25)24-12-7-3-10(4-8-12)14(26,15(18,19)20)16(21,22)23/h1-8,26H,(H,24,25)
InChIKeyXLLFTIPJXQKZGF-UHFFFAOYSA-N
MW397.70 g/mol
LogP4.90
Rot. Bonds3

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

4-chloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide (PubChem CID 21179063) has the molecular formula C16H10ClF6NO2 and a molecular weight of 397.70 g/mol. Its IUPAC name is 4-chloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide
PubChem CID21179063
Molecular FormulaC16H10ClF6NO2
Molecular Weight397.70 g/mol
Exact Mass397.03
IUPAC Name4-chloro-N-[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)c1ccc(Cl)cc1
InChIInChI=1S/C16H10ClF6NO2/c17-11-5-1-9(2-6-11)13(25)24-12-7-3-10(4-8-12)14(26,15(18,19)20)16(21,22)23/h1-8,26H,(H,24,25)
InChIKeyXLLFTIPJXQKZGF-UHFFFAOYSA-N
XLogP4.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.70
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide (CID 21179063) is 4-chloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide?
The canonical SMILES for 4-chloro-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)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide?
The InChIKey is XLLFTIPJXQKZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF6NO2/c17-11-5-1-9(2-6-11)13(25)24-12-7-3-10(4-8-12)14(26,15(18,19)20)16(21,22)23/h1-8,26H,(H,24,25).
What are the key properties of 4-chloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide?
4-chloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide has a molecular weight of 397.70 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide is sourced from PubChem (CID 21179063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).