methyl 4-chloro-3-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]benzoate

C20H19ClN2O4 — CID 39969691

IUPACmethyl 4-chloro-3-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)Cc2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C20H19ClN2O4/c1-27-20(26)14-6-9-16(21)17(12-14)22-18(24)11-13-4-7-15(8-5-13)23-10-2-3-19(23)25/h4-9,12H,2-3,10-11H2,1H3,(H,22,24)
InChIKeyIGCJRYLZONCWAB-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.43
Rot. Bonds5

About methyl 4-chloro-3-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]benzoate

methyl 4-chloro-3-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]benzoate (PubChem CID 39969691) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is methyl 4-chloro-3-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]benzoate
PubChem CID39969691
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Namemethyl 4-chloro-3-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)Cc2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C20H19ClN2O4/c1-27-20(26)14-6-9-16(21)17(12-14)22-18(24)11-13-4-7-15(8-5-13)23-10-2-3-19(23)25/h4-9,12H,2-3,10-11H2,1H3,(H,22,24)
InChIKeyIGCJRYLZONCWAB-UHFFFAOYSA-N
XLogP3.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-chloro-3-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]benzoate with MolForge

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Related Compounds

methyl 4-chloro-3-[[(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]amino]benzoate
CID 52548836
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 42059549
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 55675256
N-(4-chloro-3-cyanophenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 86913737
N-(4-methoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9042283
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3,5-dimethoxybenzamide
CID 55676037
2-(3,4-dimethoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686452
methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 8747295
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(2-propan-2-yloxyphenyl)acetamide
CID 39498449
methyl 4-[[4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperazin-1-yl]methyl]benzoate
CID 19614455
N'-[2-(4-chlorophenyl)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 26657735
methyl 4-chloro-3-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
CID 113000016

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]benzoate (CID 39969691) is methyl 4-chloro-3-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]benzoate is COC(=O)c1ccc(Cl)c(NC(=O)Cc2ccc(N3CCCC3=O)cc2)c1.
What is the InChIKey of methyl 4-chloro-3-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]benzoate?
The InChIKey is IGCJRYLZONCWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-27-20(26)14-6-9-16(21)17(12-14)22-18(24)11-13-4-7-15(8-5-13)23-10-2-3-19(23)25/h4-9,12H,2-3,10-11H2,1H3,(H,22,24).
What are the key properties of methyl 4-chloro-3-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]benzoate?
methyl 4-chloro-3-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]benzoate has a molecular weight of 386.84 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]benzoate is sourced from PubChem (CID 39969691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).