N,N-di(propan-2-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide

C16H22F3NO2 — CID 15986677

IUPACN,N-di(propan-2-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(C(C)(O)C(F)(F)F)cc1)C(C)C
InChIInChI=1S/C16H22F3NO2/c1-10(2)20(11(3)4)14(21)12-6-8-13(9-7-12)15(5,22)16(17,18)19/h6-11,22H,1-5H3
InChIKeyCQXZBRZRJUNLQU-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.72
Rot. Bonds4

About N,N-di(propan-2-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide

N,N-di(propan-2-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide (PubChem CID 15986677) has the molecular formula C16H22F3NO2 and a molecular weight of 317.35 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
PubChem CID15986677
Molecular FormulaC16H22F3NO2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC NameN,N-di(propan-2-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(C(C)(O)C(F)(F)F)cc1)C(C)C
InChIInChI=1S/C16H22F3NO2/c1-10(2)20(11(3)4)14(21)12-6-8-13(9-7-12)15(5,22)16(17,18)19/h6-11,22H,1-5H3
InChIKeyCQXZBRZRJUNLQU-UHFFFAOYSA-N
XLogP3.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide?
The IUPAC name of N,N-di(propan-2-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide (CID 15986677) is N,N-di(propan-2-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for N,N-di(propan-2-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide?
The canonical SMILES for N,N-di(propan-2-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide is CC(C)N(C(=O)c1ccc(C(C)(O)C(F)(F)F)cc1)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide?
The InChIKey is CQXZBRZRJUNLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO2/c1-10(2)20(11(3)4)14(21)12-6-8-13(9-7-12)15(5,22)16(17,18)19/h6-11,22H,1-5H3.
What are the key properties of N,N-di(propan-2-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide?
N,N-di(propan-2-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide has a molecular weight of 317.35 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 15986677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).