methyl 4-[[[4-[2-(4-fluorophenyl)oxolan-2-yl]benzoyl]amino]methyl]benzoate

C26H24FNO4 — CID 146260117

IUPACmethyl 4-[[[4-[2-(4-fluorophenyl)oxolan-2-yl]benzoyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2ccc(C3(c4ccc(F)cc4)CCCO3)cc2)cc1
InChIInChI=1S/C26H24FNO4/c1-31-25(30)20-5-3-18(4-6-20)17-28-24(29)19-7-9-21(10-8-19)26(15-2-16-32-26)22-11-13-23(27)14-12-22/h3-14H,2,15-17H2,1H3,(H,28,29)
InChIKeyYMIOETCLGFTOHV-UHFFFAOYSA-N
MW433.48 g/mol
LogP4.60
Rot. Bonds6

About methyl 4-[[[4-[2-(4-fluorophenyl)oxolan-2-yl]benzoyl]amino]methyl]benzoate

methyl 4-[[[4-[2-(4-fluorophenyl)oxolan-2-yl]benzoyl]amino]methyl]benzoate (PubChem CID 146260117) has the molecular formula C26H24FNO4 and a molecular weight of 433.48 g/mol. Its IUPAC name is methyl 4-[[[4-[2-(4-fluorophenyl)oxolan-2-yl]benzoyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[4-[2-(4-fluorophenyl)oxolan-2-yl]benzoyl]amino]methyl]benzoate
PubChem CID146260117
Molecular FormulaC26H24FNO4
Molecular Weight433.48 g/mol
Exact Mass433.17
IUPAC Namemethyl 4-[[[4-[2-(4-fluorophenyl)oxolan-2-yl]benzoyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2ccc(C3(c4ccc(F)cc4)CCCO3)cc2)cc1
InChIInChI=1S/C26H24FNO4/c1-31-25(30)20-5-3-18(4-6-20)17-28-24(29)19-7-9-21(10-8-19)26(15-2-16-32-26)22-11-13-23(27)14-12-22/h3-14H,2,15-17H2,1H3,(H,28,29)
InChIKeyYMIOETCLGFTOHV-UHFFFAOYSA-N
XLogP4.60
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[[4-[2-(4-fluorophenyl)oxolan-2-yl]benzoyl]amino]methyl]benzoate with MolForge

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Related Compounds

2-(4-bromophenyl)-2-(4-fluorophenyl)oxolane;4-chloro-1-(4-fluorophenyl)butan-1-one;4-[2-(4-fluorophenyl)oxolan-2-yl]benzoic acid;4-[2-(4-fluorophenyl)oxolan-2-yl]-N-[[4-(2-hydroxyacetyl)phenyl]methyl]benzamide;methyl 4-[[[4-[2-(4-fluorophenyl)oxolan-2-yl]benzoyl]amino]methyl]benzoate
CID 157371999
4-[[4-[2-(4-fluorophenyl)oxolan-2-yl]anilino]methyl]benzoic acid
CID 163646712
methyl 4-[[(4-acetylbenzoyl)amino]methyl]benzoate
CID 163207822
methyl 4-[[[4-[(4-fluorophenyl)-propoxymethyl]benzoyl]amino]methyl]benzoate
CID 146260155
methyl 4-[[[2-[2-[(4-fluorobenzoyl)amino]acetyl]oxyacetyl]amino]methyl]benzoate
CID 7878196
methyl 4-[[(1-aminocyclopropanecarbonyl)amino]methyl]benzoate
CID 65466652
methyl 5-[[(4-fluorobenzoyl)amino]methyl]-2-methoxybenzoate
CID 18113005
4-[(carbamoylamino)methyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide
CID 47042246
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
methyl 4-[[(1-methylcyclobutyl)amino]methyl]benzoate
CID 115924433
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[4-[2-(4-fluorophenyl)oxolan-2-yl]benzoyl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[[4-[2-(4-fluorophenyl)oxolan-2-yl]benzoyl]amino]methyl]benzoate (CID 146260117) is methyl 4-[[[4-[2-(4-fluorophenyl)oxolan-2-yl]benzoyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[4-[2-(4-fluorophenyl)oxolan-2-yl]benzoyl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[4-[2-(4-fluorophenyl)oxolan-2-yl]benzoyl]amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)c2ccc(C3(c4ccc(F)cc4)CCCO3)cc2)cc1.
What is the InChIKey of methyl 4-[[[4-[2-(4-fluorophenyl)oxolan-2-yl]benzoyl]amino]methyl]benzoate?
The InChIKey is YMIOETCLGFTOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FNO4/c1-31-25(30)20-5-3-18(4-6-20)17-28-24(29)19-7-9-21(10-8-19)26(15-2-16-32-26)22-11-13-23(27)14-12-22/h3-14H,2,15-17H2,1H3,(H,28,29).
What are the key properties of methyl 4-[[[4-[2-(4-fluorophenyl)oxolan-2-yl]benzoyl]amino]methyl]benzoate?
methyl 4-[[[4-[2-(4-fluorophenyl)oxolan-2-yl]benzoyl]amino]methyl]benzoate has a molecular weight of 433.48 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[4-[2-(4-fluorophenyl)oxolan-2-yl]benzoyl]amino]methyl]benzoate is sourced from PubChem (CID 146260117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).