methyl 4-[2-(2-chlorophenoxy)acetyl]-1,3,5-trimethylpyrrole-2-carboxylate

C17H18ClNO4 — CID 46044252

IUPACmethyl 4-[2-(2-chlorophenoxy)acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(C)c(C(=O)COc2ccccc2Cl)c(C)n1C
InChIInChI=1S/C17H18ClNO4/c1-10-15(11(2)19(3)16(10)17(21)22-4)13(20)9-23-14-8-6-5-7-12(14)18/h5-8H,9H2,1-4H3
InChIKeyCGGWKCOKAMZDPQ-UHFFFAOYSA-N
MW335.79 g/mol
LogP3.34
Rot. Bonds5

About methyl 4-[2-(2-chlorophenoxy)acetyl]-1,3,5-trimethylpyrrole-2-carboxylate

methyl 4-[2-(2-chlorophenoxy)acetyl]-1,3,5-trimethylpyrrole-2-carboxylate (PubChem CID 46044252) has the molecular formula C17H18ClNO4 and a molecular weight of 335.79 g/mol. Its IUPAC name is methyl 4-[2-(2-chlorophenoxy)acetyl]-1,3,5-trimethylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(2-chlorophenoxy)acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
PubChem CID46044252
Molecular FormulaC17H18ClNO4
Molecular Weight335.79 g/mol
Exact Mass335.09
IUPAC Namemethyl 4-[2-(2-chlorophenoxy)acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(C)c(C(=O)COc2ccccc2Cl)c(C)n1C
InChIInChI=1S/C17H18ClNO4/c1-10-15(11(2)19(3)16(10)17(21)22-4)13(20)9-23-14-8-6-5-7-12(14)18/h5-8H,9H2,1-4H3
InChIKeyCGGWKCOKAMZDPQ-UHFFFAOYSA-N
XLogP3.34
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(2R)-2-[(2-chlorobenzoyl)-cyclopropylamino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 93144401
methyl 4-[2-[benzoyl(cyclopropyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42675895
methyl 4-[(2S)-2-[(2-chlorobenzoyl)-(cyclohexylmethyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 93144590
methyl 4-[2-[(2-chlorobenzoyl)-(cyclohexylmethyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42677644
methyl 4-[2-[(4-chlorobenzoyl)-(2-pyridin-2-ylethyl)amino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42676898
2-(2-chlorophenoxy)-N-(2,5-dimethylpyrrol-1-yl)acetamide
CID 43822465
methyl 5-[2-(2,3-dichlorophenoxy)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 30157504
methyl 5-[(2R)-2-[2-(2-chlorophenoxy)acetyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7847319
methyl 4-[(2R)-2-[benzoyl(propan-2-yl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 93144355
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 2473330
methyl 4-[2-[(2-methoxyacetyl)-propan-2-ylamino]acetyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42675885
2-(2-chlorophenoxy)-N-hydroxyacetamide
CID 95562486

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(2-chlorophenoxy)acetyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-[2-(2-chlorophenoxy)acetyl]-1,3,5-trimethylpyrrole-2-carboxylate (CID 46044252) is methyl 4-[2-(2-chlorophenoxy)acetyl]-1,3,5-trimethylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[2-(2-chlorophenoxy)acetyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[2-(2-chlorophenoxy)acetyl]-1,3,5-trimethylpyrrole-2-carboxylate is COC(=O)c1c(C)c(C(=O)COc2ccccc2Cl)c(C)n1C.
What is the InChIKey of methyl 4-[2-(2-chlorophenoxy)acetyl]-1,3,5-trimethylpyrrole-2-carboxylate?
The InChIKey is CGGWKCOKAMZDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4/c1-10-15(11(2)19(3)16(10)17(21)22-4)13(20)9-23-14-8-6-5-7-12(14)18/h5-8H,9H2,1-4H3.
What are the key properties of methyl 4-[2-(2-chlorophenoxy)acetyl]-1,3,5-trimethylpyrrole-2-carboxylate?
methyl 4-[2-(2-chlorophenoxy)acetyl]-1,3,5-trimethylpyrrole-2-carboxylate has a molecular weight of 335.79 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2-chlorophenoxy)acetyl]-1,3,5-trimethylpyrrole-2-carboxylate is sourced from PubChem (CID 46044252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).