4-[4-(1-adamantyl)phenoxy]-3-fluoro-N-methylbenzamide

C24H26FNO2 — CID 146325605

IUPAC4-[4-(1-adamantyl)phenoxy]-3-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(F)c1
InChIInChI=1S/C24H26FNO2/c1-26-23(27)18-2-7-22(21(25)11-18)28-20-5-3-19(4-6-20)24-12-15-8-16(13-24)10-17(9-15)14-24/h2-7,11,15-17H,8-10,12-14H2,1H3,(H,26,27)
InChIKeyNVVYOEZDEJVUKC-UHFFFAOYSA-N
MW379.48 g/mol
LogP5.45
Rot. Bonds4

About 4-[4-(1-adamantyl)phenoxy]-3-fluoro-N-methylbenzamide

4-[4-(1-adamantyl)phenoxy]-3-fluoro-N-methylbenzamide (PubChem CID 146325605) has the molecular formula C24H26FNO2 and a molecular weight of 379.48 g/mol. Its IUPAC name is 4-[4-(1-adamantyl)phenoxy]-3-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-[4-(1-adamantyl)phenoxy]-3-fluoro-N-methylbenzamide
PubChem CID146325605
Molecular FormulaC24H26FNO2
Molecular Weight379.48 g/mol
Exact Mass379.19
IUPAC Name4-[4-(1-adamantyl)phenoxy]-3-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(F)c1
InChIInChI=1S/C24H26FNO2/c1-26-23(27)18-2-7-22(21(25)11-18)28-20-5-3-19(4-6-20)24-12-15-8-16(13-24)10-17(9-15)14-24/h2-7,11,15-17H,8-10,12-14H2,1H3,(H,26,27)
InChIKeyNVVYOEZDEJVUKC-UHFFFAOYSA-N
XLogP5.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.48
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-hydroxy-4-[4-(9-methyl-9-bicyclo[3.3.1]nonanyl)phenoxy]benzamide
CID 146325722
3-fluoro-N-methyl-4-[4-[(3-methylbutylamino)methyl]phenoxy]benzamide
CID 70876564
[2-fluoro-4-(methylcarbamoyl)phenyl] acetate
CID 165120813
methyl (E)-3-[4-(1-adamantyl)-2-fluorophenoxy]prop-2-enoate
CID 142736361
4-(difluoromethoxy)-3-fluoro-N-methylbenzamide
CID 126769270
4-(4-cyclohexylphenoxy)-3-fluoro-N-hydroxybenzamide
CID 146305948
[5-(1-adamantyl)-2-methoxyphenyl]-(4-methylphenyl)methanone
CID 149132545
methyl 4-(4-cyclopropylphenoxy)-3-fluorobenzoate
CID 142415157
1-[4-[4-[1-(1,1-difluoroethyl)cyclopropyl]phenoxy]-3-fluorophenyl]propan-1-one
CID 161389908
3-fluoro-4-(4-hydroxyphenoxy)benzoic acid
CID 165360541
methyl 4-(4-acetyl-2-fluorophenoxy)benzoate
CID 60674012
3-fluoro-4-(4-hydroxyphenoxy)benzamide
CID 60870089

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-adamantyl)phenoxy]-3-fluoro-N-methylbenzamide?
The IUPAC name of 4-[4-(1-adamantyl)phenoxy]-3-fluoro-N-methylbenzamide (CID 146325605) is 4-[4-(1-adamantyl)phenoxy]-3-fluoro-N-methylbenzamide.
What is the SMILES notation for 4-[4-(1-adamantyl)phenoxy]-3-fluoro-N-methylbenzamide?
The canonical SMILES for 4-[4-(1-adamantyl)phenoxy]-3-fluoro-N-methylbenzamide is CNC(=O)c1ccc(Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(F)c1.
What is the InChIKey of 4-[4-(1-adamantyl)phenoxy]-3-fluoro-N-methylbenzamide?
The InChIKey is NVVYOEZDEJVUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO2/c1-26-23(27)18-2-7-22(21(25)11-18)28-20-5-3-19(4-6-20)24-12-15-8-16(13-24)10-17(9-15)14-24/h2-7,11,15-17H,8-10,12-14H2,1H3,(H,26,27).
What are the key properties of 4-[4-(1-adamantyl)phenoxy]-3-fluoro-N-methylbenzamide?
4-[4-(1-adamantyl)phenoxy]-3-fluoro-N-methylbenzamide has a molecular weight of 379.48 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-adamantyl)phenoxy]-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 146325605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).