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

C19H20FNO2 — CID 27450186

IUPACN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCOCC1)c1ccccc1
InChIInChI=1S/C19H20FNO2/c20-17-8-6-16(7-9-17)19(10-12-23-13-11-19)14-21-18(22)15-4-2-1-3-5-15/h1-9H,10-14H2,(H,21,22)
InChIKeyAOBKOHAMWDQGTE-UHFFFAOYSA-N
MW313.37 g/mol
LogP3.30
Rot. Bonds4

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

N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide (PubChem CID 27450186) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
PubChem CID27450186
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCOCC1)c1ccccc1
InChIInChI=1S/C19H20FNO2/c20-17-8-6-16(7-9-17)19(10-12-23-13-11-19)14-21-18(22)15-4-2-1-3-5-15/h1-9H,10-14H2,(H,21,22)
InChIKeyAOBKOHAMWDQGTE-UHFFFAOYSA-N
XLogP3.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450060
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-oxo-4-phenylbutanamide
CID 47070990
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-fluorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449958
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
4-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100542760
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,6-dimethylbenzamide
CID 71869222
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-nitrobenzamide
CID 27450099
3-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100514729
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]benzamide
CID 112503014
N-[[(4S)-4-phenyloxepan-4-yl]methyl]-4-(trifluoromethyl)benzamide
CID 95100724

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide?
The IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide (CID 27450186) is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide.
What is the SMILES notation for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide?
The canonical SMILES for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide is O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1ccccc1.
What is the InChIKey of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide?
The InChIKey is AOBKOHAMWDQGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c20-17-8-6-16(7-9-17)19(10-12-23-13-11-19)14-21-18(22)15-4-2-1-3-5-15/h1-9H,10-14H2,(H,21,22).
What are the key properties of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide?
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide has a molecular weight of 313.37 g/mol, XLogP of 3.30, 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]benzamide is sourced from PubChem (CID 27450186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).