2,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-6-hydroxybenzamide

C19H18F3NO3 — CID 86861805

IUPAC2,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-6-hydroxybenzamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCOCC1)c1c(O)cc(F)cc1F
InChIInChI=1S/C19H18F3NO3/c20-13-3-1-12(2-4-13)19(5-7-26-8-6-19)11-23-18(25)17-15(22)9-14(21)10-16(17)24/h1-4,9-10,24H,5-8,11H2,(H,23,25)
InChIKeyCDKITWCUXKJJNX-UHFFFAOYSA-N
MW365.35 g/mol
LogP3.29
Rot. Bonds4

About 2,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-6-hydroxybenzamide

2,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-6-hydroxybenzamide (PubChem CID 86861805) has the molecular formula C19H18F3NO3 and a molecular weight of 365.35 g/mol. Its IUPAC name is 2,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-6-hydroxybenzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-6-hydroxybenzamide
PubChem CID86861805
Molecular FormulaC19H18F3NO3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC Name2,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-6-hydroxybenzamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCOCC1)c1c(O)cc(F)cc1F
InChIInChI=1S/C19H18F3NO3/c20-13-3-1-12(2-4-13)19(5-7-26-8-6-19)11-23-18(25)17-15(22)9-14(21)10-16(17)24/h1-4,9-10,24H,5-8,11H2,(H,23,25)
InChIKeyCDKITWCUXKJJNX-UHFFFAOYSA-N
XLogP3.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,6-dimethylbenzamide
CID 71869222
3,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450150
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450060
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449958
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-propylbenzamide
CID 27450093
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-(3-methylphenyl)acetamide
CID 27450137
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-nitrobenzamide
CID 27450099
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]adamantane-1-carboxamide
CID 27450003
1-cycloheptyl-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]urea
CID 71796603
2-[[4-(4-fluorophenyl)oxan-4-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119182430
2-(3-fluorophenyl)-N-[2-[[4-(4-fluorophenyl)oxan-4-yl]methylcarbamoylamino]ethyl]acetamide
CID 86874981

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-6-hydroxybenzamide?
The IUPAC name of 2,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-6-hydroxybenzamide (CID 86861805) is 2,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-6-hydroxybenzamide.
What is the SMILES notation for 2,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-6-hydroxybenzamide?
The canonical SMILES for 2,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-6-hydroxybenzamide is O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1c(O)cc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-6-hydroxybenzamide?
The InChIKey is CDKITWCUXKJJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO3/c20-13-3-1-12(2-4-13)19(5-7-26-8-6-19)11-23-18(25)17-15(22)9-14(21)10-16(17)24/h1-4,9-10,24H,5-8,11H2,(H,23,25).
What are the key properties of 2,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-6-hydroxybenzamide?
2,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-6-hydroxybenzamide has a molecular weight of 365.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-6-hydroxybenzamide is sourced from PubChem (CID 86861805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).