4-[[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid

C20H19ClN2O4 — CID 119165542

IUPAC4-[[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
SMILESCN1C(=O)CC(C(=O)NCc2ccc(C(=O)O)cc2)C1c1cccc(Cl)c1
InChIInChI=1S/C20H19ClN2O4/c1-23-17(24)10-16(18(23)14-3-2-4-15(21)9-14)19(25)22-11-12-5-7-13(8-6-12)20(26)27/h2-9,16,18H,10-11H2,1H3,(H,22,25)(H,26,27)
InChIKeyNKZJLTSTHRJWTI-UHFFFAOYSA-N
MW386.84 g/mol
LogP2.87
Rot. Bonds5

About 4-[[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid

4-[[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid (PubChem CID 119165542) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is 4-[[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
PubChem CID119165542
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name4-[[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
SMILESCN1C(=O)CC(C(=O)NCc2ccc(C(=O)O)cc2)C1c1cccc(Cl)c1
InChIInChI=1S/C20H19ClN2O4/c1-23-17(24)10-16(18(23)14-3-2-4-15(21)9-14)19(25)22-11-12-5-7-13(8-6-12)20(26)27/h2-9,16,18H,10-11H2,1H3,(H,22,25)(H,26,27)
InChIKeyNKZJLTSTHRJWTI-UHFFFAOYSA-N
XLogP2.87
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid with MolForge

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Related Compounds

N-(2-amino-2-methylpropyl)-2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 119628158
3-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119177320
N-[2-(4-aminophenyl)ethyl]-2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 119548591
4-[[[(2S,3S)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 125151166
2-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 119392607
(2S,3S)-2-(3-chlorophenyl)-1-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97317115
(2R,3S)-2-(3-chlorophenyl)-1-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97317117
(2R,3S)-2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95242214
cis-(1R,3S)-3-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120679019
cis-(1S,3R)-3-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676976
(2S,3S)-2-(3-chlorophenyl)-1-methyl-5-oxo-N'-pyrimidin-2-ylpyrrolidine-3-carbohydrazide
CID 95628484
(2R,3R)-N-[(2-chlorophenyl)methyl]-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29130506

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid (CID 119165542) is 4-[[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid is CN1C(=O)CC(C(=O)NCc2ccc(C(=O)O)cc2)C1c1cccc(Cl)c1.
What is the InChIKey of 4-[[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid?
The InChIKey is NKZJLTSTHRJWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-23-17(24)10-16(18(23)14-3-2-4-15(21)9-14)19(25)22-11-12-5-7-13(8-6-12)20(26)27/h2-9,16,18H,10-11H2,1H3,(H,22,25)(H,26,27).
What are the key properties of 4-[[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid?
4-[[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid has a molecular weight of 386.84 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid is sourced from PubChem (CID 119165542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).