methyl 2-[[(4-fluorobenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate

C18H16FNO4 — CID 46089367

IUPACmethyl 2-[[(4-fluorobenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CC(CNC(=O)c1ccc(F)cc1)O2
InChIInChI=1S/C18H16FNO4/c1-23-18(22)12-4-7-16-13(8-12)9-15(24-16)10-20-17(21)11-2-5-14(19)6-3-11/h2-8,15H,9-10H2,1H3,(H,20,21)
InChIKeyXANHJNAUTHGQLD-UHFFFAOYSA-N
MW329.33 g/mol
LogP2.35
Rot. Bonds4

About methyl 2-[[(4-fluorobenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate

methyl 2-[[(4-fluorobenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate (PubChem CID 46089367) has the molecular formula C18H16FNO4 and a molecular weight of 329.33 g/mol. Its IUPAC name is methyl 2-[[(4-fluorobenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(4-fluorobenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
PubChem CID46089367
Molecular FormulaC18H16FNO4
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC Namemethyl 2-[[(4-fluorobenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CC(CNC(=O)c1ccc(F)cc1)O2
InChIInChI=1S/C18H16FNO4/c1-23-18(22)12-4-7-16-13(8-12)9-15(24-16)10-20-17(21)11-2-5-14(19)6-3-11/h2-8,15H,9-10H2,1H3,(H,20,21)
InChIKeyXANHJNAUTHGQLD-UHFFFAOYSA-N
XLogP2.35
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[(4-fluorobenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate 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

4-fluoro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 92756967
methyl 2-[(1,3-benzodioxole-5-carbonylamino)methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
CID 46085665
methyl (2R)-2-[[(2,4-dimethylbenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
CID 92757935
methyl 2-[(thiophene-2-carbonylamino)methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
CID 46085576
4-fluoro-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 46082466
4-butoxy-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 92757640
methyl 2-[[(4-methoxy-4-oxobutanoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
CID 46085670
methyl (2S)-2-[(3-methylsulfanylpropanoylamino)methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
CID 92756609
methyl 2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate
CID 46090259
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 46090164
6-chloro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide
CID 92757195
N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylbenzamide
CID 92756956

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(4-fluorobenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate?
The IUPAC name of methyl 2-[[(4-fluorobenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate (CID 46089367) is methyl 2-[[(4-fluorobenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate.
What is the SMILES notation for methyl 2-[[(4-fluorobenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate?
The canonical SMILES for methyl 2-[[(4-fluorobenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate is COC(=O)c1ccc2c(c1)CC(CNC(=O)c1ccc(F)cc1)O2.
What is the InChIKey of methyl 2-[[(4-fluorobenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate?
The InChIKey is XANHJNAUTHGQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO4/c1-23-18(22)12-4-7-16-13(8-12)9-15(24-16)10-20-17(21)11-2-5-14(19)6-3-11/h2-8,15H,9-10H2,1H3,(H,20,21).
What are the key properties of methyl 2-[[(4-fluorobenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate?
methyl 2-[[(4-fluorobenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate has a molecular weight of 329.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(4-fluorobenzoyl)amino]methyl]-2,3-dihydro-1-benzofuran-5-carboxylate is sourced from PubChem (CID 46089367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).