methyl 2-[[4-(4-chlorophenyl)-1-ethylpyrrole-2-carbonyl]amino]acetate

C16H17ClN2O3 — CID 91911240

IUPACmethyl 2-[[4-(4-chlorophenyl)-1-ethylpyrrole-2-carbonyl]amino]acetate
SMILESCCn1cc(-c2ccc(Cl)cc2)cc1C(=O)NCC(=O)OC
InChIInChI=1S/C16H17ClN2O3/c1-3-19-10-12(11-4-6-13(17)7-5-11)8-14(19)16(21)18-9-15(20)22-2/h4-8,10H,3,9H2,1-2H3,(H,18,21)
InChIKeyFPNCMLLZDHKIMI-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.73
Rot. Bonds5

About methyl 2-[[4-(4-chlorophenyl)-1-ethylpyrrole-2-carbonyl]amino]acetate

methyl 2-[[4-(4-chlorophenyl)-1-ethylpyrrole-2-carbonyl]amino]acetate (PubChem CID 91911240) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is methyl 2-[[4-(4-chlorophenyl)-1-ethylpyrrole-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-(4-chlorophenyl)-1-ethylpyrrole-2-carbonyl]amino]acetate
PubChem CID91911240
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Namemethyl 2-[[4-(4-chlorophenyl)-1-ethylpyrrole-2-carbonyl]amino]acetate
SMILESCCn1cc(-c2ccc(Cl)cc2)cc1C(=O)NCC(=O)OC
InChIInChI=1S/C16H17ClN2O3/c1-3-19-10-12(11-4-6-13(17)7-5-11)8-14(19)16(21)18-9-15(20)22-2/h4-8,10H,3,9H2,1-2H3,(H,18,21)
InChIKeyFPNCMLLZDHKIMI-UHFFFAOYSA-N
XLogP2.73
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[4-(4-chlorophenyl)-1-ethylpyrrole-2-carbonyl]amino]acetate 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 methyl 2-[[4-(4-chlorophenyl)-1-ethylpyrrole-2-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[4-(4-chlorophenyl)-1-ethylpyrrole-2-carbonyl]amino]acetate (CID 91911240) is methyl 2-[[4-(4-chlorophenyl)-1-ethylpyrrole-2-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-(4-chlorophenyl)-1-ethylpyrrole-2-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-(4-chlorophenyl)-1-ethylpyrrole-2-carbonyl]amino]acetate is CCn1cc(-c2ccc(Cl)cc2)cc1C(=O)NCC(=O)OC.
What is the InChIKey of methyl 2-[[4-(4-chlorophenyl)-1-ethylpyrrole-2-carbonyl]amino]acetate?
The InChIKey is FPNCMLLZDHKIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-3-19-10-12(11-4-6-13(17)7-5-11)8-14(19)16(21)18-9-15(20)22-2/h4-8,10H,3,9H2,1-2H3,(H,18,21).
What are the key properties of methyl 2-[[4-(4-chlorophenyl)-1-ethylpyrrole-2-carbonyl]amino]acetate?
methyl 2-[[4-(4-chlorophenyl)-1-ethylpyrrole-2-carbonyl]amino]acetate has a molecular weight of 320.78 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(4-chlorophenyl)-1-ethylpyrrole-2-carbonyl]amino]acetate is sourced from PubChem (CID 91911240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).