methyl 4-[[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]amino]benzoate

C21H16FNO6 — CID 42227239

IUPACmethyl 4-[[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)cc1
InChIInChI=1S/C21H16FNO6/c1-27-21(26)14-4-8-16(9-5-14)23-20(25)18-10-17(24)19(12-29-18)28-11-13-2-6-15(22)7-3-13/h2-10,12H,11H2,1H3,(H,23,25)
InChIKeyXGUYHWDSYQJXPK-UHFFFAOYSA-N
MW397.36 g/mol
LogP3.40
Rot. Bonds6

About methyl 4-[[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]amino]benzoate

methyl 4-[[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]amino]benzoate (PubChem CID 42227239) has the molecular formula C21H16FNO6 and a molecular weight of 397.36 g/mol. Its IUPAC name is methyl 4-[[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]amino]benzoate
PubChem CID42227239
Molecular FormulaC21H16FNO6
Molecular Weight397.36 g/mol
Exact Mass397.10
IUPAC Namemethyl 4-[[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)cc1
InChIInChI=1S/C21H16FNO6/c1-27-21(26)14-4-8-16(9-5-14)23-20(25)18-10-17(24)19(12-29-18)28-11-13-2-6-15(22)7-3-13/h2-10,12H,11H2,1H3,(H,23,25)
InChIKeyXGUYHWDSYQJXPK-UHFFFAOYSA-N
XLogP3.40
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]amino]benzoate with MolForge

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Related Compounds

N-(4-fluorophenyl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide
CID 42227224
N-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxamide
CID 42227255
5-[(4-fluorophenyl)methoxy]-4-oxo-N-[(1S)-1-phenylethyl]pyran-2-carboxamide
CID 42227199
methyl 4-fluoro-3-[(4-fluorophenyl)methoxy]benzoate
CID 86725638
4-oxo-5-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)pyran-2-carboxamide
CID 42227009
5-[(2-fluorophenyl)methoxy]-4-oxo-N-phenylpyran-2-carboxamide
CID 86206858
methyl 4-[(2-phenylmethoxybenzoyl)amino]benzoate
CID 4946351
N-(2-fluorophenyl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 45494955
methyl 4-[[4-(furan-2-carbonylamino)phenoxy]methyl]benzoate
CID 112787723
N-(4-fluorophenyl)-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide
CID 42442339
N-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carboxamide
CID 42317193
2-[(4-fluorophenyl)methoxy]-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 55887151

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]amino]benzoate (CID 42227239) is methyl 4-[[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)cc1.
What is the InChIKey of methyl 4-[[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]amino]benzoate?
The InChIKey is XGUYHWDSYQJXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO6/c1-27-21(26)14-4-8-16(9-5-14)23-20(25)18-10-17(24)19(12-29-18)28-11-13-2-6-15(22)7-3-13/h2-10,12H,11H2,1H3,(H,23,25).
What are the key properties of methyl 4-[[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]amino]benzoate?
methyl 4-[[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]amino]benzoate has a molecular weight of 397.36 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]amino]benzoate is sourced from PubChem (CID 42227239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).