ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(propylamino)ethyl]pyrrole-3-carboxylate

C19H23FN2O3 — CID 5061395

IUPACethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(propylamino)ethyl]pyrrole-3-carboxylate
SMILESCCCNC(=O)Cn1c(-c2ccc(F)cc2)cc(C(=O)OCC)c1C
InChIInChI=1S/C19H23FN2O3/c1-4-10-21-18(23)12-22-13(3)16(19(24)25-5-2)11-17(22)14-6-8-15(20)9-7-14/h6-9,11H,4-5,10,12H2,1-3H3,(H,21,23)
InChIKeyKQPRIQSKWHANEN-UHFFFAOYSA-N
MW346.40 g/mol
LogP3.31
Rot. Bonds7

About ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(propylamino)ethyl]pyrrole-3-carboxylate

ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(propylamino)ethyl]pyrrole-3-carboxylate (PubChem CID 5061395) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(propylamino)ethyl]pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(propylamino)ethyl]pyrrole-3-carboxylate
PubChem CID5061395
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Nameethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(propylamino)ethyl]pyrrole-3-carboxylate
SMILESCCCNC(=O)Cn1c(-c2ccc(F)cc2)cc(C(=O)OCC)c1C
InChIInChI=1S/C19H23FN2O3/c1-4-10-21-18(23)12-22-13(3)16(19(24)25-5-2)11-17(22)14-6-8-15(20)9-7-14/h6-9,11H,4-5,10,12H2,1-3H3,(H,21,23)
InChIKeyKQPRIQSKWHANEN-UHFFFAOYSA-N
XLogP3.31
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(propylamino)ethyl]pyrrole-3-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

ethyl 1-(3-{[3-(ethoxycarbonyl)phenyl]amino}-3-oxopropyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
CID 4994807
[2-(4-Fluoroanilino)-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 8672444
1H-Pyrrole-1-acetic acid, 3-(ethoxycarbonyl)-2-methyl-5-phenyl-
CID 3235924
4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]butanoic acid
CID 3245731
ethyl 1-benzyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 661090
methyl 4-[[[5-[(E)-3-oxobut-1-enyl]-1H-pyrrole-2-carbonyl]amino]methyl]benzoate
CID 44219691
benzyl 1-methyl-6-(methylcarbamoyl)-1H,2H,3H,4H-pyrrolo(1,2-a)pyrazine-2-carboxylate
CID 43810584
1-Cyclohexylcarbamoylmethyl-1H-indole-3-carboxylic acid methyl ester
CID 645611
methyl 2-{[(1-ethyl-6-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl)carbonyl]amino}benzoate
CID 3237097
ethyl 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 3237882
ethyl 2-{[(1-ethyl-6-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl)carbonyl]amino}benzoate
CID 3241563
ethyl 3-{[3-(1H-pyrrol-1-yl)propanoyl]amino}benzoate
CID 3242991

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(propylamino)ethyl]pyrrole-3-carboxylate?
The IUPAC name of ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(propylamino)ethyl]pyrrole-3-carboxylate (CID 5061395) is ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(propylamino)ethyl]pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(propylamino)ethyl]pyrrole-3-carboxylate?
The canonical SMILES for ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(propylamino)ethyl]pyrrole-3-carboxylate is CCCNC(=O)Cn1c(-c2ccc(F)cc2)cc(C(=O)OCC)c1C.
What is the InChIKey of ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(propylamino)ethyl]pyrrole-3-carboxylate?
The InChIKey is KQPRIQSKWHANEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-4-10-21-18(23)12-22-13(3)16(19(24)25-5-2)11-17(22)14-6-8-15(20)9-7-14/h6-9,11H,4-5,10,12H2,1-3H3,(H,21,23).
What are the key properties of ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(propylamino)ethyl]pyrrole-3-carboxylate?
ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(propylamino)ethyl]pyrrole-3-carboxylate has a molecular weight of 346.40 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(propylamino)ethyl]pyrrole-3-carboxylate is sourced from PubChem (CID 5061395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).