3-fluoro-N,N-dimethyl-4-[4-[1-(trifluoromethyl)cyclopropyl]phenoxy]benzamide

C19H17F4NO2 — CID 142415050

IUPAC3-fluoro-N,N-dimethyl-4-[4-[1-(trifluoromethyl)cyclopropyl]phenoxy]benzamide
SMILESCN(C)C(=O)c1ccc(Oc2ccc(C3(C(F)(F)F)CC3)cc2)c(F)c1
InChIInChI=1S/C19H17F4NO2/c1-24(2)17(25)12-3-8-16(15(20)11-12)26-14-6-4-13(5-7-14)18(9-10-18)19(21,22)23/h3-8,11H,9-10H2,1-2H3
InChIKeyIZYMIFXCVMFIQT-UHFFFAOYSA-N
MW367.34 g/mol
LogP4.91
Rot. Bonds4

About 3-fluoro-N,N-dimethyl-4-[4-[1-(trifluoromethyl)cyclopropyl]phenoxy]benzamide

3-fluoro-N,N-dimethyl-4-[4-[1-(trifluoromethyl)cyclopropyl]phenoxy]benzamide (PubChem CID 142415050) has the molecular formula C19H17F4NO2 and a molecular weight of 367.34 g/mol. Its IUPAC name is 3-fluoro-N,N-dimethyl-4-[4-[1-(trifluoromethyl)cyclopropyl]phenoxy]benzamide.

Molecular Properties

Compound Name3-fluoro-N,N-dimethyl-4-[4-[1-(trifluoromethyl)cyclopropyl]phenoxy]benzamide
PubChem CID142415050
Molecular FormulaC19H17F4NO2
Molecular Weight367.34 g/mol
Exact Mass367.12
IUPAC Name3-fluoro-N,N-dimethyl-4-[4-[1-(trifluoromethyl)cyclopropyl]phenoxy]benzamide
SMILESCN(C)C(=O)c1ccc(Oc2ccc(C3(C(F)(F)F)CC3)cc2)c(F)c1
InChIInChI=1S/C19H17F4NO2/c1-24(2)17(25)12-3-8-16(15(20)11-12)26-14-6-4-13(5-7-14)18(9-10-18)19(21,22)23/h3-8,11H,9-10H2,1-2H3
InChIKeyIZYMIFXCVMFIQT-UHFFFAOYSA-N
XLogP4.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-(4-((Heptadecafluorononyl)oxy)-benzamido)propyl)-N,N,N-trimethylammonium iodide
CID 138402798
4-butoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 2930045
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4-(2-methylpropoxy)benzamide
CID 2958588
N-methyl-4-{4-[(methylamino)carbonyl]phenoxy}benzamide
CID 3241238
4-(4-tert-butylphenoxy)-N,N-dimethylbenzamide
CID 76319782
US9676786, example 3
CID 122664145
N,N-Dimethyl-4-(2-propen-1-yloxy)-3,5-dipropylbenzamide
CID 95812
N-[(4-tert-butylphenyl)methyl]-4-methoxy-N-pentan-2-ylbenzamide
CID 44533951
3-((dimethylamino)methyl)-N,N-dimethyl-4-(4-(trifluoromethoxy)phenoxy)benzamide
CID 44568379
N-[(2R)-3,3-dimethylbutan-2-yl]-4-[(3-fluorophenyl)methoxy]benzamide
CID 71449413
4-(4-tert-butylphenoxy)-N-[(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-N-ethylbenzamide
CID 76312553
4-(4-tert-butylphenoxy)-N-[(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-N-methylbenzamide
CID 76316054

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,N-dimethyl-4-[4-[1-(trifluoromethyl)cyclopropyl]phenoxy]benzamide?
The IUPAC name of 3-fluoro-N,N-dimethyl-4-[4-[1-(trifluoromethyl)cyclopropyl]phenoxy]benzamide (CID 142415050) is 3-fluoro-N,N-dimethyl-4-[4-[1-(trifluoromethyl)cyclopropyl]phenoxy]benzamide.
What is the SMILES notation for 3-fluoro-N,N-dimethyl-4-[4-[1-(trifluoromethyl)cyclopropyl]phenoxy]benzamide?
The canonical SMILES for 3-fluoro-N,N-dimethyl-4-[4-[1-(trifluoromethyl)cyclopropyl]phenoxy]benzamide is CN(C)C(=O)c1ccc(Oc2ccc(C3(C(F)(F)F)CC3)cc2)c(F)c1.
What is the InChIKey of 3-fluoro-N,N-dimethyl-4-[4-[1-(trifluoromethyl)cyclopropyl]phenoxy]benzamide?
The InChIKey is IZYMIFXCVMFIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4NO2/c1-24(2)17(25)12-3-8-16(15(20)11-12)26-14-6-4-13(5-7-14)18(9-10-18)19(21,22)23/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 3-fluoro-N,N-dimethyl-4-[4-[1-(trifluoromethyl)cyclopropyl]phenoxy]benzamide?
3-fluoro-N,N-dimethyl-4-[4-[1-(trifluoromethyl)cyclopropyl]phenoxy]benzamide has a molecular weight of 367.34 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,N-dimethyl-4-[4-[1-(trifluoromethyl)cyclopropyl]phenoxy]benzamide is sourced from PubChem (CID 142415050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).