N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-propylbenzamide

C22H26FNO2 — CID 27450093

IUPACN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1
InChIInChI=1S/C22H26FNO2/c1-2-3-17-4-6-18(7-5-17)21(25)24-16-22(12-14-26-15-13-22)19-8-10-20(23)11-9-19/h4-11H,2-3,12-16H2,1H3,(H,24,25)
InChIKeyASAKYQVRWVQTCN-UHFFFAOYSA-N
MW355.45 g/mol
LogP4.26
Rot. Bonds6

About N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-propylbenzamide

N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-propylbenzamide (PubChem CID 27450093) has the molecular formula C22H26FNO2 and a molecular weight of 355.45 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-propylbenzamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-propylbenzamide
PubChem CID27450093
Molecular FormulaC22H26FNO2
Molecular Weight355.45 g/mol
Exact Mass355.19
IUPAC NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1
InChIInChI=1S/C22H26FNO2/c1-2-3-17-4-6-18(7-5-17)21(25)24-16-22(12-14-26-15-13-22)19-8-10-20(23)11-9-19/h4-11H,2-3,12-16H2,1H3,(H,24,25)
InChIKeyASAKYQVRWVQTCN-UHFFFAOYSA-N
XLogP4.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
3,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450150
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-4-propylbenzamide
CID 27449368
3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450060
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,6-dimethylbenzamide
CID 71869222
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449958
4-[[[ethylamino-[[4-(4-fluorophenyl)oxan-4-yl]methylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111874210
N'-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 27453065
1-ethyl-2-[(4-fluorophenyl)methyl]-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]guanidine
CID 111230903
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913
1-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methyl-3-propylguanidine
CID 111225197
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide
CID 42266020

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-propylbenzamide?
The IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-propylbenzamide (CID 27450093) is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-propylbenzamide.
What is the SMILES notation for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-propylbenzamide?
The canonical SMILES for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-propylbenzamide is CCCc1ccc(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1.
What is the InChIKey of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-propylbenzamide?
The InChIKey is ASAKYQVRWVQTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO2/c1-2-3-17-4-6-18(7-5-17)21(25)24-16-22(12-14-26-15-13-22)19-8-10-20(23)11-9-19/h4-11H,2-3,12-16H2,1H3,(H,24,25).
What are the key properties of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-propylbenzamide?
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-propylbenzamide has a molecular weight of 355.45 g/mol, XLogP of 4.26, 6 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]-4-propylbenzamide is sourced from PubChem (CID 27450093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).