methyl 4-fluoro-2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate

C14H17FN2O3 — CID 63715623

IUPACmethyl 4-fluoro-2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(F)cc1NC(=O)C1CNCC1C
InChIInChI=1S/C14H17FN2O3/c1-8-6-16-7-11(8)13(18)17-12-5-9(15)3-4-10(12)14(19)20-2/h3-5,8,11,16H,6-7H2,1-2H3,(H,17,18)
InChIKeyYUFSBIMJJRLERU-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.41
Rot. Bonds3

About methyl 4-fluoro-2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate

methyl 4-fluoro-2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate (PubChem CID 63715623) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is methyl 4-fluoro-2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-fluoro-2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate
PubChem CID63715623
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Namemethyl 4-fluoro-2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(F)cc1NC(=O)C1CNCC1C
InChIInChI=1S/C14H17FN2O3/c1-8-6-16-7-11(8)13(18)17-12-5-9(15)3-4-10(12)14(19)20-2/h3-5,8,11,16H,6-7H2,1-2H3,(H,17,18)
InChIKeyYUFSBIMJJRLERU-UHFFFAOYSA-N
XLogP1.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-fluoro-2-[(4-methylpyrrolidine-3-carbonyl)amino]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

2-[(5-fluoro-2-methoxycarbonylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60941976
N-(2-chloro-4-fluorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 55228625
methyl 2-[2-(azetidin-3-yl)propanoylamino]-4-fluorobenzoate
CID 116675861
4-chloro-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]benzoic acid
CID 98540711
ethyl 2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate
CID 63714826
(3S,4S)-N-(4-methoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide
CID 114084896
methyl 4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 65142670
N-(4,5-dimethoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide
CID 63714118
methyl 4-fluoro-2-[(2-morpholin-2-ylacetyl)amino]benzoate
CID 66428476
methyl 4-fluoro-2-[(4-iodobenzoyl)amino]benzoate
CID 60787444
4-methyl-N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 63714277
4-methyl-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 55229769

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-fluoro-2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate (CID 63715623) is methyl 4-fluoro-2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-fluoro-2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-fluoro-2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate is COC(=O)c1ccc(F)cc1NC(=O)C1CNCC1C.
What is the InChIKey of methyl 4-fluoro-2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate?
The InChIKey is YUFSBIMJJRLERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-8-6-16-7-11(8)13(18)17-12-5-9(15)3-4-10(12)14(19)20-2/h3-5,8,11,16H,6-7H2,1-2H3,(H,17,18).
What are the key properties of methyl 4-fluoro-2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate?
methyl 4-fluoro-2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate has a molecular weight of 280.30 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 63715623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).