N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,6-dimethylbenzamide

C21H24FNO2 — CID 71869222

IUPACN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NCC1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C21H24FNO2/c1-15-4-3-5-16(2)19(15)20(24)23-14-21(10-12-25-13-11-21)17-6-8-18(22)9-7-17/h3-9H,10-14H2,1-2H3,(H,23,24)
InChIKeyPAWSHMYRNSVOGY-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.92
Rot. Bonds4

About N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,6-dimethylbenzamide

N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,6-dimethylbenzamide (PubChem CID 71869222) has the molecular formula C21H24FNO2 and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,6-dimethylbenzamide
PubChem CID71869222
Molecular FormulaC21H24FNO2
Molecular Weight341.43 g/mol
Exact Mass341.18
IUPAC NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NCC1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C21H24FNO2/c1-15-4-3-5-16(2)19(15)20(24)23-14-21(10-12-25-13-11-21)17-6-8-18(22)9-7-17/h3-9H,10-14H2,1-2H3,(H,23,24)
InChIKeyPAWSHMYRNSVOGY-UHFFFAOYSA-N
XLogP3.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449958
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450060
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-(3-methylphenyl)acetamide
CID 27450137
2,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-6-hydroxybenzamide
CID 86861805
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-3-methylbenzamide
CID 112835532
3,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450150
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-propylbenzamide
CID 27450093
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449030
N'-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 27453065
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-nitrobenzamide
CID 27450099
5-acetyl-N-[[(3S)-3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 95125429

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,6-dimethylbenzamide?
The IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,6-dimethylbenzamide (CID 71869222) is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,6-dimethylbenzamide.
What is the SMILES notation for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,6-dimethylbenzamide?
The canonical SMILES for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,6-dimethylbenzamide is Cc1cccc(C)c1C(=O)NCC1(c2ccc(F)cc2)CCOCC1.
What is the InChIKey of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,6-dimethylbenzamide?
The InChIKey is PAWSHMYRNSVOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO2/c1-15-4-3-5-16(2)19(15)20(24)23-14-21(10-12-25-13-11-21)17-6-8-18(22)9-7-17/h3-9H,10-14H2,1-2H3,(H,23,24).
What are the key properties of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,6-dimethylbenzamide?
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,6-dimethylbenzamide has a molecular weight of 341.43 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,6-dimethylbenzamide is sourced from PubChem (CID 71869222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).