4-(4-cycloheptylphenoxy)-3-fluoro-N,N-dimethylbenzamide

C22H26FNO2 — CID 142415067

IUPAC4-(4-cycloheptylphenoxy)-3-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Oc2ccc(C3CCCCCC3)cc2)c(F)c1
InChIInChI=1S/C22H26FNO2/c1-24(2)22(25)18-11-14-21(20(23)15-18)26-19-12-9-17(10-13-19)16-7-5-3-4-6-8-16/h9-16H,3-8H2,1-2H3
InChIKeyRDYFSHBYEMGCJJ-UHFFFAOYSA-N
MW355.45 g/mol
LogP5.76
Rot. Bonds4

About 4-(4-cycloheptylphenoxy)-3-fluoro-N,N-dimethylbenzamide

4-(4-cycloheptylphenoxy)-3-fluoro-N,N-dimethylbenzamide (PubChem CID 142415067) has the molecular formula C22H26FNO2 and a molecular weight of 355.45 g/mol. Its IUPAC name is 4-(4-cycloheptylphenoxy)-3-fluoro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-(4-cycloheptylphenoxy)-3-fluoro-N,N-dimethylbenzamide
PubChem CID142415067
Molecular FormulaC22H26FNO2
Molecular Weight355.45 g/mol
Exact Mass355.19
IUPAC Name4-(4-cycloheptylphenoxy)-3-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Oc2ccc(C3CCCCCC3)cc2)c(F)c1
InChIInChI=1S/C22H26FNO2/c1-24(2)22(25)18-11-14-21(20(23)15-18)26-19-12-9-17(10-13-19)16-7-5-3-4-6-8-16/h9-16H,3-8H2,1-2H3
InChIKeyRDYFSHBYEMGCJJ-UHFFFAOYSA-N
XLogP5.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.45
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-cyclohexylphenoxy)-3-fluoro-N-hydroxybenzamide
CID 146305948
4-(4-cyclopentylphenoxy)-N,N-dimethylbenzamide
CID 142415037
methyl 4-(4-cyclopropylphenoxy)-3-fluorobenzoate
CID 142415157
4-(4-tert-butylphenoxy)-3-fluoro-N,N-dimethylbenzamide
CID 146306005
4-(4-cyclopropylphenoxy)-N,N-dimethylbenzamide
CID 142415331
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-chlorophenoxy)-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 119443707
[3-fluoro-4-(trifluoromethoxy)phenyl] 4-cyclohexylbenzoate
CID 126565049
6-(4-cyclohexylphenoxy)-5-fluoropyridine-3-carboxylic acid
CID 135313098
1-[4-(4-cyclohexylphenoxy)phenyl]propan-1-one
CID 159588283
4-(4-bromophenoxy)-3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550855

Frequently Asked Questions

What is the IUPAC name of 4-(4-cycloheptylphenoxy)-3-fluoro-N,N-dimethylbenzamide?
The IUPAC name of 4-(4-cycloheptylphenoxy)-3-fluoro-N,N-dimethylbenzamide (CID 142415067) is 4-(4-cycloheptylphenoxy)-3-fluoro-N,N-dimethylbenzamide.
What is the SMILES notation for 4-(4-cycloheptylphenoxy)-3-fluoro-N,N-dimethylbenzamide?
The canonical SMILES for 4-(4-cycloheptylphenoxy)-3-fluoro-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Oc2ccc(C3CCCCCC3)cc2)c(F)c1.
What is the InChIKey of 4-(4-cycloheptylphenoxy)-3-fluoro-N,N-dimethylbenzamide?
The InChIKey is RDYFSHBYEMGCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO2/c1-24(2)22(25)18-11-14-21(20(23)15-18)26-19-12-9-17(10-13-19)16-7-5-3-4-6-8-16/h9-16H,3-8H2,1-2H3.
What are the key properties of 4-(4-cycloheptylphenoxy)-3-fluoro-N,N-dimethylbenzamide?
4-(4-cycloheptylphenoxy)-3-fluoro-N,N-dimethylbenzamide has a molecular weight of 355.45 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cycloheptylphenoxy)-3-fluoro-N,N-dimethylbenzamide is sourced from PubChem (CID 142415067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).