dimethyl 2-[(4-fluorobenzoyl)amino]butanedioate

C13H14FNO5 — CID 6611930

IUPACdimethyl 2-[(4-fluorobenzoyl)amino]butanedioate
SMILESCOC(=O)CC(NC(=O)c1ccc(F)cc1)C(=O)OC
InChIInChI=1S/C13H14FNO5/c1-19-11(16)7-10(13(18)20-2)15-12(17)8-3-5-9(14)6-4-8/h3-6,10H,7H2,1-2H3,(H,15,17)
InChIKeyVWDBYMJHHNZSMV-UHFFFAOYSA-N
MW283.25 g/mol
LogP0.66
Rot. Bonds5

About dimethyl 2-[(4-fluorobenzoyl)amino]butanedioate

dimethyl 2-[(4-fluorobenzoyl)amino]butanedioate (PubChem CID 6611930) has the molecular formula C13H14FNO5 and a molecular weight of 283.25 g/mol. Its IUPAC name is dimethyl 2-[(4-fluorobenzoyl)amino]butanedioate.

Molecular Properties

Compound Namedimethyl 2-[(4-fluorobenzoyl)amino]butanedioate
PubChem CID6611930
Molecular FormulaC13H14FNO5
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Namedimethyl 2-[(4-fluorobenzoyl)amino]butanedioate
SMILESCOC(=O)CC(NC(=O)c1ccc(F)cc1)C(=O)OC
InChIInChI=1S/C13H14FNO5/c1-19-11(16)7-10(13(18)20-2)15-12(17)8-3-5-9(14)6-4-8/h3-6,10H,7H2,1-2H3,(H,15,17)
InChIKeyVWDBYMJHHNZSMV-UHFFFAOYSA-N
XLogP0.66
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze dimethyl 2-[(4-fluorobenzoyl)amino]butanedioate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(4-fluorobenzoyl)amino]butanedioate?
The IUPAC name of dimethyl 2-[(4-fluorobenzoyl)amino]butanedioate (CID 6611930) is dimethyl 2-[(4-fluorobenzoyl)amino]butanedioate.
What is the SMILES notation for dimethyl 2-[(4-fluorobenzoyl)amino]butanedioate?
The canonical SMILES for dimethyl 2-[(4-fluorobenzoyl)amino]butanedioate is COC(=O)CC(NC(=O)c1ccc(F)cc1)C(=O)OC.
What is the InChIKey of dimethyl 2-[(4-fluorobenzoyl)amino]butanedioate?
The InChIKey is VWDBYMJHHNZSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO5/c1-19-11(16)7-10(13(18)20-2)15-12(17)8-3-5-9(14)6-4-8/h3-6,10H,7H2,1-2H3,(H,15,17).
What are the key properties of dimethyl 2-[(4-fluorobenzoyl)amino]butanedioate?
dimethyl 2-[(4-fluorobenzoyl)amino]butanedioate has a molecular weight of 283.25 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(4-fluorobenzoyl)amino]butanedioate is sourced from PubChem (CID 6611930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).