methyl 4-[[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]methyl]benzoate

C18H18FNO4 — CID 18200158

IUPACmethyl 4-[[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)Cc2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C18H18FNO4/c1-23-16-8-5-13(9-15(16)19)10-17(21)20-11-12-3-6-14(7-4-12)18(22)24-2/h3-9H,10-11H2,1-2H3,(H,20,21)
InChIKeyOOSZSXAJTCUVBL-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.48
Rot. Bonds6

About methyl 4-[[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]methyl]benzoate

methyl 4-[[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]methyl]benzoate (PubChem CID 18200158) has the molecular formula C18H18FNO4 and a molecular weight of 331.34 g/mol. Its IUPAC name is methyl 4-[[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]methyl]benzoate
PubChem CID18200158
Molecular FormulaC18H18FNO4
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Namemethyl 4-[[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)Cc2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C18H18FNO4/c1-23-16-8-5-13(9-15(16)19)10-17(21)20-11-12-3-6-14(7-4-12)18(22)24-2/h3-9H,10-11H2,1-2H3,(H,20,21)
InChIKeyOOSZSXAJTCUVBL-UHFFFAOYSA-N
XLogP2.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[[2-(3-fluoro-4-methoxyphenyl)acetyl]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

N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9042461
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129
methyl 4-[[[2-(2-methoxy-5-methylphenyl)acetyl]amino]methyl]benzoate
CID 18106700
2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 110779980
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide
CID 110780014
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
methyl 4-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanoylamino]methyl]benzoate
CID 46690122
methyl 4-[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]benzoate
CID 31917214
N-[(2,4-dichlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9045958
2-(5-acetyl-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 30843339
N-[[4-(bromomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 107233727
N-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 62920214

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]methyl]benzoate (CID 18200158) is methyl 4-[[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)Cc2ccc(OC)c(F)c2)cc1.
What is the InChIKey of methyl 4-[[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]methyl]benzoate?
The InChIKey is OOSZSXAJTCUVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4/c1-23-16-8-5-13(9-15(16)19)10-17(21)20-11-12-3-6-14(7-4-12)18(22)24-2/h3-9H,10-11H2,1-2H3,(H,20,21).
What are the key properties of methyl 4-[[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]methyl]benzoate?
methyl 4-[[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]methyl]benzoate has a molecular weight of 331.34 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]methyl]benzoate is sourced from PubChem (CID 18200158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).