methyl 4-[[[4-[(4-fluorophenyl)-propoxymethyl]benzoyl]amino]methyl]benzoate

C26H26FNO4 — CID 146260155

IUPACmethyl 4-[[[4-[(4-fluorophenyl)-propoxymethyl]benzoyl]amino]methyl]benzoate
SMILESCCCOC(c1ccc(F)cc1)c1ccc(C(=O)NCc2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C26H26FNO4/c1-3-16-32-24(20-12-14-23(27)15-13-20)19-8-10-21(11-9-19)25(29)28-17-18-4-6-22(7-5-18)26(30)31-2/h4-15,24H,3,16-17H2,1-2H3,(H,28,29)
InChIKeyPXVPEVCTHDFAFN-UHFFFAOYSA-N
MW435.50 g/mol
LogP5.06
Rot. Bonds9

About methyl 4-[[[4-[(4-fluorophenyl)-propoxymethyl]benzoyl]amino]methyl]benzoate

methyl 4-[[[4-[(4-fluorophenyl)-propoxymethyl]benzoyl]amino]methyl]benzoate (PubChem CID 146260155) has the molecular formula C26H26FNO4 and a molecular weight of 435.50 g/mol. Its IUPAC name is methyl 4-[[[4-[(4-fluorophenyl)-propoxymethyl]benzoyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[4-[(4-fluorophenyl)-propoxymethyl]benzoyl]amino]methyl]benzoate
PubChem CID146260155
Molecular FormulaC26H26FNO4
Molecular Weight435.50 g/mol
Exact Mass435.18
IUPAC Namemethyl 4-[[[4-[(4-fluorophenyl)-propoxymethyl]benzoyl]amino]methyl]benzoate
SMILESCCCOC(c1ccc(F)cc1)c1ccc(C(=O)NCc2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C26H26FNO4/c1-3-16-32-24(20-12-14-23(27)15-13-20)19-8-10-21(11-9-19)25(29)28-17-18-4-6-22(7-5-18)26(30)31-2/h4-15,24H,3,16-17H2,1-2H3,(H,28,29)
InChIKeyPXVPEVCTHDFAFN-UHFFFAOYSA-N
XLogP5.06
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.50
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[[4-[(4-fluorophenyl)-propoxymethyl]benzoyl]amino]methyl]benzoate with MolForge

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Related Compounds

methyl 4-[[(4-acetylbenzoyl)amino]methyl]benzoate
CID 163207822
methyl 4-[[[2-[2-[(4-fluorobenzoyl)amino]acetyl]oxyacetyl]amino]methyl]benzoate
CID 7878196
methyl 4-[[[4-[2-(4-fluorophenyl)oxolan-2-yl]benzoyl]amino]methyl]benzoate
CID 146260117
ethyl N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]carbamate
CID 26692275
methyl 4-[(3-methoxy-4-propoxyphenyl)methylcarbamoyl]benzoate
CID 46409549
methyl 4-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]methyl]benzoate
CID 40881969
methyl 5-[[(4-fluorobenzoyl)amino]methyl]-2-methoxybenzoate
CID 18113005
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-[(1R)-1-(4-fluorophenyl)ethyl]benzoate
CID 146166532
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
N-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 46654046

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[4-[(4-fluorophenyl)-propoxymethyl]benzoyl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[[4-[(4-fluorophenyl)-propoxymethyl]benzoyl]amino]methyl]benzoate (CID 146260155) is methyl 4-[[[4-[(4-fluorophenyl)-propoxymethyl]benzoyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[4-[(4-fluorophenyl)-propoxymethyl]benzoyl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[4-[(4-fluorophenyl)-propoxymethyl]benzoyl]amino]methyl]benzoate is CCCOC(c1ccc(F)cc1)c1ccc(C(=O)NCc2ccc(C(=O)OC)cc2)cc1.
What is the InChIKey of methyl 4-[[[4-[(4-fluorophenyl)-propoxymethyl]benzoyl]amino]methyl]benzoate?
The InChIKey is PXVPEVCTHDFAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FNO4/c1-3-16-32-24(20-12-14-23(27)15-13-20)19-8-10-21(11-9-19)25(29)28-17-18-4-6-22(7-5-18)26(30)31-2/h4-15,24H,3,16-17H2,1-2H3,(H,28,29).
What are the key properties of methyl 4-[[[4-[(4-fluorophenyl)-propoxymethyl]benzoyl]amino]methyl]benzoate?
methyl 4-[[[4-[(4-fluorophenyl)-propoxymethyl]benzoyl]amino]methyl]benzoate has a molecular weight of 435.50 g/mol, XLogP of 5.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[4-[(4-fluorophenyl)-propoxymethyl]benzoyl]amino]methyl]benzoate is sourced from PubChem (CID 146260155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).