4-(4-tert-butylphenoxy)-3-fluoro-N,N-dimethylbenzamide

C19H22FNO2 — CID 146306005

IUPAC4-(4-tert-butylphenoxy)-3-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Oc2ccc(C(C)(C)C)cc2)c(F)c1
InChIInChI=1S/C19H22FNO2/c1-19(2,3)14-7-9-15(10-8-14)23-17-11-6-13(12-16(17)20)18(22)21(4)5/h6-12H,1-5H3
InChIKeyIZMVUUUTPLXBNG-UHFFFAOYSA-N
MW315.39 g/mol
LogP4.62
Rot. Bonds3

About 4-(4-tert-butylphenoxy)-3-fluoro-N,N-dimethylbenzamide

4-(4-tert-butylphenoxy)-3-fluoro-N,N-dimethylbenzamide (PubChem CID 146306005) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)-3-fluoro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)-3-fluoro-N,N-dimethylbenzamide
PubChem CID146306005
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name4-(4-tert-butylphenoxy)-3-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Oc2ccc(C(C)(C)C)cc2)c(F)c1
InChIInChI=1S/C19H22FNO2/c1-19(2,3)14-7-9-15(10-8-14)23-17-11-6-13(12-16(17)20)18(22)21(4)5/h6-12H,1-5H3
InChIKeyIZMVUUUTPLXBNG-UHFFFAOYSA-N
XLogP4.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(1,1-difluoroethyl)phenoxy]-3-fluoro-N,N-dimethylbenzamide
CID 162134350
3-fluoro-N,N-dimethyl-4-[4-[1-(trifluoromethyl)cyclopropyl]phenoxy]benzamide
CID 142415050
4-(4-cycloheptylphenoxy)-3-fluoro-N,N-dimethylbenzamide
CID 142415067
1-[3-fluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]ethanone
CID 142414912
1-(4-tert-butylphenoxy)-2,4-difluorobenzene
CID 70799684
ethyl 4-[4-(1,1-difluoroethyl)phenoxy]-3-fluorobenzoate
CID 142415329
3-fluoro-4-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenoxy]benzoic acid
CID 146305965
1-[3-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]propan-1-one
CID 162250472
3-fluoro-4-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]benzamide
CID 158189564
methyl 3-fluoro-4-[4-(1,1,2,2,2-pentafluoroethyl)phenoxy]benzoate
CID 142415335
3-fluoro-4-(4-hydroxyphenoxy)benzoic acid
CID 165360541
(1S)-1-[4-(4-tert-butylphenoxy)-3-fluorophenyl]ethanol
CID 78944719

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)-3-fluoro-N,N-dimethylbenzamide?
The IUPAC name of 4-(4-tert-butylphenoxy)-3-fluoro-N,N-dimethylbenzamide (CID 146306005) is 4-(4-tert-butylphenoxy)-3-fluoro-N,N-dimethylbenzamide.
What is the SMILES notation for 4-(4-tert-butylphenoxy)-3-fluoro-N,N-dimethylbenzamide?
The canonical SMILES for 4-(4-tert-butylphenoxy)-3-fluoro-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Oc2ccc(C(C)(C)C)cc2)c(F)c1.
What is the InChIKey of 4-(4-tert-butylphenoxy)-3-fluoro-N,N-dimethylbenzamide?
The InChIKey is IZMVUUUTPLXBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-19(2,3)14-7-9-15(10-8-14)23-17-11-6-13(12-16(17)20)18(22)21(4)5/h6-12H,1-5H3.
What are the key properties of 4-(4-tert-butylphenoxy)-3-fluoro-N,N-dimethylbenzamide?
4-(4-tert-butylphenoxy)-3-fluoro-N,N-dimethylbenzamide has a molecular weight of 315.39 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)-3-fluoro-N,N-dimethylbenzamide is sourced from PubChem (CID 146306005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).