4-(2-fluorophenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide

C25H24FNO3 — CID 100682380

IUPAC4-(2-fluorophenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)C1(c2ccccc2F)CCOCC1
InChIInChI=1S/C25H24FNO3/c26-23-9-5-4-8-22(23)25(14-16-29-17-15-25)24(28)27-20-10-12-21(13-11-20)30-18-19-6-2-1-3-7-19/h1-13H,14-18H2,(H,27,28)
InChIKeyUSDFEHWFKQZIFA-UHFFFAOYSA-N
MW405.47 g/mol
LogP5.09
Rot. Bonds6

About 4-(2-fluorophenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide

4-(2-fluorophenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide (PubChem CID 100682380) has the molecular formula C25H24FNO3 and a molecular weight of 405.47 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide
PubChem CID100682380
Molecular FormulaC25H24FNO3
Molecular Weight405.47 g/mol
Exact Mass405.17
IUPAC Name4-(2-fluorophenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)C1(c2ccccc2F)CCOCC1
InChIInChI=1S/C25H24FNO3/c26-23-9-5-4-8-22(23)25(14-16-29-17-15-25)24(28)27-20-10-12-21(13-11-20)30-18-19-6-2-1-3-7-19/h1-13H,14-18H2,(H,27,28)
InChIKeyUSDFEHWFKQZIFA-UHFFFAOYSA-N
XLogP5.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.47
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide
CID 100682348
4-(4-methylphenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide
CID 100681565
4-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)oxane-4-carboxamide
CID 100682300
4-[4-(2-methylpyrimidin-5-yl)phenyl]-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide
CID 67987918
4-(2-fluorophenyl)-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]oxane-4-carboxamide
CID 100682604
1-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 2525284
1-(2-fluorophenyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 100672872
methyl 2-ethoxy-5-[[4-(2-fluorophenyl)oxane-4-carbonyl]amino]benzoate
CID 100748818
1-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 113198528
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 100673262
N-[4-(2-bromoethoxy)phenyl]-4-phenyloxane-4-carboxamide
CID 100679083
methyl 5-[[4-(2-fluorophenyl)oxane-4-carbonyl]amino]-2-methoxybenzoate
CID 100748813

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide (CID 100682380) is 4-(2-fluorophenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide is O=C(Nc1ccc(OCc2ccccc2)cc1)C1(c2ccccc2F)CCOCC1.
What is the InChIKey of 4-(2-fluorophenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide?
The InChIKey is USDFEHWFKQZIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FNO3/c26-23-9-5-4-8-22(23)25(14-16-29-17-15-25)24(28)27-20-10-12-21(13-11-20)30-18-19-6-2-1-3-7-19/h1-13H,14-18H2,(H,27,28).
What are the key properties of 4-(2-fluorophenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide?
4-(2-fluorophenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide has a molecular weight of 405.47 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide is sourced from PubChem (CID 100682380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).