N-benzyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methylbenzamide

C18H15F6NO2 — CID 10271742

IUPACN-benzyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C18H15F6NO2/c1-25(11-12-5-3-2-4-6-12)15(26)13-7-9-14(10-8-13)16(27,17(19,20)21)18(22,23)24/h2-10,27H,11H2,1H3
InChIKeySUXAWRIGWWRSQD-UHFFFAOYSA-N
MW391.31 g/mol
LogP4.27
Rot. Bonds4

About N-benzyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methylbenzamide

N-benzyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methylbenzamide (PubChem CID 10271742) has the molecular formula C18H15F6NO2 and a molecular weight of 391.31 g/mol. Its IUPAC name is N-benzyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methylbenzamide
PubChem CID10271742
Molecular FormulaC18H15F6NO2
Molecular Weight391.31 g/mol
Exact Mass391.10
IUPAC NameN-benzyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C18H15F6NO2/c1-25(11-12-5-3-2-4-6-12)15(26)13-7-9-14(10-8-13)16(27,17(19,20)21)18(22,23)24/h2-10,27H,11H2,1H3
InChIKeySUXAWRIGWWRSQD-UHFFFAOYSA-N
XLogP4.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methylbenzamide?
The IUPAC name of N-benzyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methylbenzamide (CID 10271742) is N-benzyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methylbenzamide.
What is the SMILES notation for N-benzyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methylbenzamide?
The canonical SMILES for N-benzyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methylbenzamide is CN(Cc1ccccc1)C(=O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of N-benzyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methylbenzamide?
The InChIKey is SUXAWRIGWWRSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F6NO2/c1-25(11-12-5-3-2-4-6-12)15(26)13-7-9-14(10-8-13)16(27,17(19,20)21)18(22,23)24/h2-10,27H,11H2,1H3.
What are the key properties of N-benzyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methylbenzamide?
N-benzyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methylbenzamide has a molecular weight of 391.31 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methylbenzamide is sourced from PubChem (CID 10271742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).