3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide

C19H19F2NO2 — CID 27450060

IUPAC3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCOCC1)c1cccc(F)c1
InChIInChI=1S/C19H19F2NO2/c20-16-6-4-15(5-7-16)19(8-10-24-11-9-19)13-22-18(23)14-2-1-3-17(21)12-14/h1-7,12H,8-11,13H2,(H,22,23)
InChIKeyVTEJAEUZGNTDGR-UHFFFAOYSA-N
MW331.36 g/mol
LogP3.44
Rot. Bonds4

About 3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide

3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide (PubChem CID 27450060) has the molecular formula C19H19F2NO2 and a molecular weight of 331.36 g/mol. Its IUPAC name is 3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
PubChem CID27450060
Molecular FormulaC19H19F2NO2
Molecular Weight331.36 g/mol
Exact Mass331.14
IUPAC Name3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCOCC1)c1cccc(F)c1
InChIInChI=1S/C19H19F2NO2/c20-16-6-4-15(5-7-16)19(8-10-24-11-9-19)13-22-18(23)14-2-1-3-17(21)12-14/h1-7,12H,8-11,13H2,(H,22,23)
InChIKeyVTEJAEUZGNTDGR-UHFFFAOYSA-N
XLogP3.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 53.44
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-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-fluorobenzamide
CID 112503018
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,6-dimethylbenzamide
CID 71869222
2-(3-fluorophenyl)-N-[2-[[4-(4-fluorophenyl)oxan-4-yl]methylcarbamoylamino]ethyl]acetamide
CID 86874981
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449958
3-fluoro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265593
3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide
CID 119761185
3-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100514729
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide
CID 52737912
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-propylbenzamide
CID 27450093
2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 110739567

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide?
The IUPAC name of 3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide (CID 27450060) is 3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide is O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide?
The InChIKey is VTEJAEUZGNTDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO2/c20-16-6-4-15(5-7-16)19(8-10-24-11-9-19)13-22-18(23)14-2-1-3-17(21)12-14/h1-7,12H,8-11,13H2,(H,22,23).
What are the key properties of 3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide?
3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide has a molecular weight of 331.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide is sourced from PubChem (CID 27450060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).