2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide

C20H22FNO2 — CID 110739567

IUPAC2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
SMILESO=C(Cc1cccc(F)c1)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C20H22FNO2/c21-18-8-4-5-16(13-18)14-19(23)22-15-20(9-11-24-12-10-20)17-6-2-1-3-7-17/h1-8,13H,9-12,14-15H2,(H,22,23)
InChIKeyRRSLTWGEXUASNM-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.23
Rot. Bonds5

About 2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide

2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide (PubChem CID 110739567) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
PubChem CID110739567
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
SMILESO=C(Cc1cccc(F)c1)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C20H22FNO2/c21-18-8-4-5-16(13-18)14-19(23)22-15-20(9-11-24-12-10-20)17-6-2-1-3-7-17/h1-8,13H,9-12,14-15H2,(H,22,23)
InChIKeyRRSLTWGEXUASNM-UHFFFAOYSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-N-[2-[[4-(4-fluorophenyl)oxan-4-yl]methylcarbamoylamino]ethyl]acetamide
CID 86874981
4-[[[2-(3-fluorophenyl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 115438203
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-(3-methylphenyl)acetamide
CID 27450137
2-(3-fluorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide
CID 124679635
3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450060
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide
CID 47071322
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 51125078
2,4-difluoro-N-[4-oxo-4-[(4-phenyloxan-4-yl)methylamino]butyl]benzamide
CID 55658381
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
N-[[4-(3-methylphenyl)oxan-4-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 100517750
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-morpholin-3-ylacetamide
CID 56911914
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 52739663

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide (CID 110739567) is 2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide is O=C(Cc1cccc(F)c1)NCC1(c2ccccc2)CCOCC1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The InChIKey is RRSLTWGEXUASNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c21-18-8-4-5-16(13-18)14-19(23)22-15-20(9-11-24-12-10-20)17-6-2-1-3-7-17/h1-8,13H,9-12,14-15H2,(H,22,23).
What are the key properties of 2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide?
2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide has a molecular weight of 327.40 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide is sourced from PubChem (CID 110739567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).