N,N-dimethyl-4-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]benzamide

C18H18F3NO2 — CID 158611008

IUPACN,N-dimethyl-4-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]benzamide
SMILESCC(c1ccc(Oc2ccc(C(=O)N(C)C)cc2)cc1)C(F)(F)F
InChIInChI=1S/C18H18F3NO2/c1-12(18(19,20)21)13-4-8-15(9-5-13)24-16-10-6-14(7-11-16)17(23)22(2)3/h4-12H,1-3H3
InChIKeyHWVLUAVWBAXRRR-UHFFFAOYSA-N
MW337.34 g/mol
LogP4.85
Rot. Bonds4

About N,N-dimethyl-4-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]benzamide

N,N-dimethyl-4-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]benzamide (PubChem CID 158611008) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]benzamide
PubChem CID158611008
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC NameN,N-dimethyl-4-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]benzamide
SMILESCC(c1ccc(Oc2ccc(C(=O)N(C)C)cc2)cc1)C(F)(F)F
InChIInChI=1S/C18H18F3NO2/c1-12(18(19,20)21)13-4-8-15(9-5-13)24-16-10-6-14(7-11-16)17(23)22(2)3/h4-12H,1-3H3
InChIKeyHWVLUAVWBAXRRR-UHFFFAOYSA-N
XLogP4.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]-N,N-dimethylbenzamide
CID 161222669
3-fluoro-4-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]benzoic acid
CID 160556906
4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenoxy]benzamide
CID 142414901
N-hydroxy-6-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]pyridine-3-carboxamide
CID 162609023
1-[4-(1,1,1-trifluoropropan-2-yl)phenyl]propan-1-one
CID 143379379
4-(4-cyclopropylphenoxy)-N,N-dimethylbenzamide
CID 142415331
4-[[4-(dimethylcarbamoyl)phenyl]-methoxymethyl]-N,N-dimethylbenzamide
CID 59165706
N,N-dimethyl-4-[(1R)-1-phenylethyl]benzamide
CID 134961348
4-(4-butylphenoxy)-N,N-dimethylbenzamide
CID 146305996
4-(4-cyclopentylphenoxy)-N,N-dimethylbenzamide
CID 142415037
[4-(dimethylcarbamoyl)phenyl] acetate
CID 3357388
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanone
CID 28524219

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]benzamide?
The IUPAC name of N,N-dimethyl-4-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]benzamide (CID 158611008) is N,N-dimethyl-4-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]benzamide?
The canonical SMILES for N,N-dimethyl-4-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]benzamide is CC(c1ccc(Oc2ccc(C(=O)N(C)C)cc2)cc1)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-4-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]benzamide?
The InChIKey is HWVLUAVWBAXRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-12(18(19,20)21)13-4-8-15(9-5-13)24-16-10-6-14(7-11-16)17(23)22(2)3/h4-12H,1-3H3.
What are the key properties of N,N-dimethyl-4-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]benzamide?
N,N-dimethyl-4-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]benzamide has a molecular weight of 337.34 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]benzamide is sourced from PubChem (CID 158611008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).