methyl 5-[[4-(2-fluorophenyl)oxane-4-carbonyl]amino]-2-methoxybenzoate

C21H22FNO5 — CID 100748813

IUPACmethyl 5-[[4-(2-fluorophenyl)oxane-4-carbonyl]amino]-2-methoxybenzoate
SMILESCOC(=O)c1cc(NC(=O)C2(c3ccccc3F)CCOCC2)ccc1OC
InChIInChI=1S/C21H22FNO5/c1-26-18-8-7-14(13-15(18)19(24)27-2)23-20(25)21(9-11-28-12-10-21)16-5-3-4-6-17(16)22/h3-8,13H,9-12H2,1-2H3,(H,23,25)
InChIKeySZRYGGJJGVTSNX-UHFFFAOYSA-N
MW387.41 g/mol
LogP3.31
Rot. Bonds5

About methyl 5-[[4-(2-fluorophenyl)oxane-4-carbonyl]amino]-2-methoxybenzoate

methyl 5-[[4-(2-fluorophenyl)oxane-4-carbonyl]amino]-2-methoxybenzoate (PubChem CID 100748813) has the molecular formula C21H22FNO5 and a molecular weight of 387.41 g/mol. Its IUPAC name is methyl 5-[[4-(2-fluorophenyl)oxane-4-carbonyl]amino]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-[[4-(2-fluorophenyl)oxane-4-carbonyl]amino]-2-methoxybenzoate
PubChem CID100748813
Molecular FormulaC21H22FNO5
Molecular Weight387.41 g/mol
Exact Mass387.15
IUPAC Namemethyl 5-[[4-(2-fluorophenyl)oxane-4-carbonyl]amino]-2-methoxybenzoate
SMILESCOC(=O)c1cc(NC(=O)C2(c3ccccc3F)CCOCC2)ccc1OC
InChIInChI=1S/C21H22FNO5/c1-26-18-8-7-14(13-15(18)19(24)27-2)23-20(25)21(9-11-28-12-10-21)16-5-3-4-6-17(16)22/h3-8,13H,9-12H2,1-2H3,(H,23,25)
InChIKeySZRYGGJJGVTSNX-UHFFFAOYSA-N
XLogP3.31
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-ethoxy-5-[[4-(2-fluorophenyl)oxane-4-carbonyl]amino]benzoate
CID 100748818
ethyl 2-methoxy-5-[(4-phenyloxane-4-carbonyl)amino]benzoate
CID 100747803
4-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)oxane-4-carboxamide
CID 100682300
methyl 5-[[1-(2,4-dichlorophenyl)cyclohexanecarbonyl]amino]-2-methoxybenzoate
CID 100747148
4-(2-fluorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide
CID 100682348
methyl 2-methoxy-5-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]benzoate
CID 100744030
methyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate
CID 100745550
1-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)cyclobutane-1-carboxamide
CID 110438579
N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide
CID 94637576
methyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate
CID 110424094
methyl 5-[[4-(2,4-dichlorophenyl)oxane-4-carbonyl]amino]-2-(2-methylpropoxy)benzoate
CID 100749856
methyl 2-[(2S)-butan-2-yl]oxy-5-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]benzoate
CID 100749064

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-(2-fluorophenyl)oxane-4-carbonyl]amino]-2-methoxybenzoate?
The IUPAC name of methyl 5-[[4-(2-fluorophenyl)oxane-4-carbonyl]amino]-2-methoxybenzoate (CID 100748813) is methyl 5-[[4-(2-fluorophenyl)oxane-4-carbonyl]amino]-2-methoxybenzoate.
What is the SMILES notation for methyl 5-[[4-(2-fluorophenyl)oxane-4-carbonyl]amino]-2-methoxybenzoate?
The canonical SMILES for methyl 5-[[4-(2-fluorophenyl)oxane-4-carbonyl]amino]-2-methoxybenzoate is COC(=O)c1cc(NC(=O)C2(c3ccccc3F)CCOCC2)ccc1OC.
What is the InChIKey of methyl 5-[[4-(2-fluorophenyl)oxane-4-carbonyl]amino]-2-methoxybenzoate?
The InChIKey is SZRYGGJJGVTSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO5/c1-26-18-8-7-14(13-15(18)19(24)27-2)23-20(25)21(9-11-28-12-10-21)16-5-3-4-6-17(16)22/h3-8,13H,9-12H2,1-2H3,(H,23,25).
What are the key properties of methyl 5-[[4-(2-fluorophenyl)oxane-4-carbonyl]amino]-2-methoxybenzoate?
methyl 5-[[4-(2-fluorophenyl)oxane-4-carbonyl]amino]-2-methoxybenzoate has a molecular weight of 387.41 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-(2-fluorophenyl)oxane-4-carbonyl]amino]-2-methoxybenzoate is sourced from PubChem (CID 100748813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).