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

C19H18F3NO2 — CID 27450150

IUPAC3,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCOCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H18F3NO2/c20-15-4-2-14(3-5-15)19(7-9-25-10-8-19)12-23-18(24)13-1-6-16(21)17(22)11-13/h1-6,11H,7-10,12H2,(H,23,24)
InChIKeyUSNFXWUFEXFBBM-UHFFFAOYSA-N
MW349.35 g/mol
LogP3.58
Rot. Bonds4

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

3,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide (PubChem CID 27450150) has the molecular formula C19H18F3NO2 and a molecular weight of 349.35 g/mol. Its IUPAC name is 3,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
PubChem CID27450150
Molecular FormulaC19H18F3NO2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC Name3,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCOCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H18F3NO2/c20-15-4-2-14(3-5-15)19(7-9-25-10-8-19)12-23-18(24)13-1-6-16(21)17(22)11-13/h1-6,11H,7-10,12H2,(H,23,24)
InChIKeyUSNFXWUFEXFBBM-UHFFFAOYSA-N
XLogP3.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-difluoro-N-[[(4R)-4-phenyloxepan-4-yl]methyl]benzamide
CID 95100723
3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450060
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-propylbenzamide
CID 27450093
N-[[4-(4-bromophenyl)oxan-4-yl]methyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 60620970
2,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-6-hydroxybenzamide
CID 86861805
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56819138
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide
CID 52737912
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-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 40617546
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,5-dimethylbenzamide
CID 42266032

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide (CID 27450150) is 3,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide is O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide?
The InChIKey is USNFXWUFEXFBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO2/c20-15-4-2-14(3-5-15)19(7-9-25-10-8-19)12-23-18(24)13-1-6-16(21)17(22)11-13/h1-6,11H,7-10,12H2,(H,23,24).
What are the key properties of 3,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide?
3,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide has a molecular weight of 349.35 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide is sourced from PubChem (CID 27450150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).