methyl 4-[[[2-(4-fluorophenoxy)-5-pyridin-2-ylbenzoyl]amino]methyl]benzoate

C27H21FN2O4 — CID 154628608

IUPACmethyl 4-[[[2-(4-fluorophenoxy)-5-pyridin-2-ylbenzoyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2cc(-c3ccccn3)ccc2Oc2ccc(F)cc2)cc1
InChIInChI=1S/C27H21FN2O4/c1-33-27(32)19-7-5-18(6-8-19)17-30-26(31)23-16-20(24-4-2-3-15-29-24)9-14-25(23)34-22-12-10-21(28)11-13-22/h2-16H,17H2,1H3,(H,30,31)
InChIKeyIYEBINAAUWUJDO-UHFFFAOYSA-N
MW456.47 g/mol
LogP5.40
Rot. Bonds7

About methyl 4-[[[2-(4-fluorophenoxy)-5-pyridin-2-ylbenzoyl]amino]methyl]benzoate

methyl 4-[[[2-(4-fluorophenoxy)-5-pyridin-2-ylbenzoyl]amino]methyl]benzoate (PubChem CID 154628608) has the molecular formula C27H21FN2O4 and a molecular weight of 456.47 g/mol. Its IUPAC name is methyl 4-[[[2-(4-fluorophenoxy)-5-pyridin-2-ylbenzoyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[2-(4-fluorophenoxy)-5-pyridin-2-ylbenzoyl]amino]methyl]benzoate
PubChem CID154628608
Molecular FormulaC27H21FN2O4
Molecular Weight456.47 g/mol
Exact Mass456.15
IUPAC Namemethyl 4-[[[2-(4-fluorophenoxy)-5-pyridin-2-ylbenzoyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2cc(-c3ccccn3)ccc2Oc2ccc(F)cc2)cc1
InChIInChI=1S/C27H21FN2O4/c1-33-27(32)19-7-5-18(6-8-19)17-30-26(31)23-16-20(24-4-2-3-15-29-24)9-14-25(23)34-22-12-10-21(28)11-13-22/h2-16H,17H2,1H3,(H,30,31)
InChIKeyIYEBINAAUWUJDO-UHFFFAOYSA-N
XLogP5.40
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.47
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[[2-(4-fluorophenoxy)-5-pyridin-2-ylbenzoyl]amino]methyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[[[5-(3-chlorophenyl)-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoate
CID 154628595
4-[[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoic acid;methyl 4-[[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoate
CID 162055040
4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid;methyl 4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoate
CID 158285072
N-[(4-fluorophenyl)methyl]-4-pyrimidin-2-yloxybenzamide
CID 70703225
2-chloro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 26999108
1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71761549
N-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116852
N-[[4-(1-aminoethenyl)phenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide
CID 143125922
[2-(benzylcarbamoyl)-4-(2,4-difluorophenyl)phenyl] benzoate
CID 45268314
N-[(4-fluorophenyl)methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide
CID 47074210
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-5-chloro-2-(4-fluorophenoxy)benzamide
CID 155946391
N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide
CID 59673307

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[2-(4-fluorophenoxy)-5-pyridin-2-ylbenzoyl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[[2-(4-fluorophenoxy)-5-pyridin-2-ylbenzoyl]amino]methyl]benzoate (CID 154628608) is methyl 4-[[[2-(4-fluorophenoxy)-5-pyridin-2-ylbenzoyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[2-(4-fluorophenoxy)-5-pyridin-2-ylbenzoyl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[2-(4-fluorophenoxy)-5-pyridin-2-ylbenzoyl]amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)c2cc(-c3ccccn3)ccc2Oc2ccc(F)cc2)cc1.
What is the InChIKey of methyl 4-[[[2-(4-fluorophenoxy)-5-pyridin-2-ylbenzoyl]amino]methyl]benzoate?
The InChIKey is IYEBINAAUWUJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN2O4/c1-33-27(32)19-7-5-18(6-8-19)17-30-26(31)23-16-20(24-4-2-3-15-29-24)9-14-25(23)34-22-12-10-21(28)11-13-22/h2-16H,17H2,1H3,(H,30,31).
What are the key properties of methyl 4-[[[2-(4-fluorophenoxy)-5-pyridin-2-ylbenzoyl]amino]methyl]benzoate?
methyl 4-[[[2-(4-fluorophenoxy)-5-pyridin-2-ylbenzoyl]amino]methyl]benzoate has a molecular weight of 456.47 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[2-(4-fluorophenoxy)-5-pyridin-2-ylbenzoyl]amino]methyl]benzoate is sourced from PubChem (CID 154628608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).