3-(3,4-difluorophenyl)-N-(oxan-4-ylmethyl)benzamide

C19H19F2NO2 — CID 118793007

IUPAC3-(3,4-difluorophenyl)-N-(oxan-4-ylmethyl)benzamide
SMILESO=C(NCC1CCOCC1)c1cccc(-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C19H19F2NO2/c20-17-5-4-15(11-18(17)21)14-2-1-3-16(10-14)19(23)22-12-13-6-8-24-9-7-13/h1-5,10-11,13H,6-9,12H2,(H,22,23)
InChIKeyLORUMDMZCFDZDG-UHFFFAOYSA-N
MW331.36 g/mol
LogP3.79
Rot. Bonds4

About 3-(3,4-difluorophenyl)-N-(oxan-4-ylmethyl)benzamide

3-(3,4-difluorophenyl)-N-(oxan-4-ylmethyl)benzamide (PubChem CID 118793007) has the molecular formula C19H19F2NO2 and a molecular weight of 331.36 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-(oxan-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-(oxan-4-ylmethyl)benzamide
PubChem CID118793007
Molecular FormulaC19H19F2NO2
Molecular Weight331.36 g/mol
Exact Mass331.14
IUPAC Name3-(3,4-difluorophenyl)-N-(oxan-4-ylmethyl)benzamide
SMILESO=C(NCC1CCOCC1)c1cccc(-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C19H19F2NO2/c20-17-5-4-15(11-18(17)21)14-2-1-3-16(10-14)19(23)22-12-13-6-8-24-9-7-13/h1-5,10-11,13H,6-9,12H2,(H,22,23)
InChIKeyLORUMDMZCFDZDG-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(oxan-4-ylmethyl)-3-phenylbenzamide
CID 110736393
3,4,5-trifluoro-N-(oxan-4-ylmethyl)benzamide
CID 63235633
4-chloro-N-(oxan-4-ylmethyl)benzamide
CID 110736386
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(oxan-4-ylmethyl)benzamide
CID 63707253
3,5-difluoro-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide
CID 63707599
4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 110736358
3,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736364
2-(3-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide
CID 110736416
4-amino-N-(oxan-4-ylmethyl)benzamide
CID 63727258
3-(3-fluoro-4-hydroxyphenyl)-N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]benzamide
CID 119070143
3-bromo-4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 79462678
4-bromo-3-chloro-N-(oxan-4-ylmethyl)benzamide
CID 80998003

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-(oxan-4-ylmethyl)benzamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-(oxan-4-ylmethyl)benzamide (CID 118793007) is 3-(3,4-difluorophenyl)-N-(oxan-4-ylmethyl)benzamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-(oxan-4-ylmethyl)benzamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-(oxan-4-ylmethyl)benzamide is O=C(NCC1CCOCC1)c1cccc(-c2ccc(F)c(F)c2)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-(oxan-4-ylmethyl)benzamide?
The InChIKey is LORUMDMZCFDZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO2/c20-17-5-4-15(11-18(17)21)14-2-1-3-16(10-14)19(23)22-12-13-6-8-24-9-7-13/h1-5,10-11,13H,6-9,12H2,(H,22,23).
What are the key properties of 3-(3,4-difluorophenyl)-N-(oxan-4-ylmethyl)benzamide?
3-(3,4-difluorophenyl)-N-(oxan-4-ylmethyl)benzamide has a molecular weight of 331.36 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-(oxan-4-ylmethyl)benzamide is sourced from PubChem (CID 118793007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).