3-(4-chlorophenyl)-5-[(2-methyl-3-oxo-1H-isoindol-5-yl)amino]-5-oxopentanoic acid

C20H19ClN2O4 — CID 91953209

IUPAC3-(4-chlorophenyl)-5-[(2-methyl-3-oxo-1H-isoindol-5-yl)amino]-5-oxopentanoic acid
SMILESCN1Cc2ccc(NC(=O)CC(CC(=O)O)c3ccc(Cl)cc3)cc2C1=O
InChIInChI=1S/C20H19ClN2O4/c1-23-11-13-4-7-16(10-17(13)20(23)27)22-18(24)8-14(9-19(25)26)12-2-5-15(21)6-3-12/h2-7,10,14H,8-9,11H2,1H3,(H,22,24)(H,25,26)
InChIKeyJNKUVZNULLAOFO-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.51
Rot. Bonds6

About 3-(4-chlorophenyl)-5-[(2-methyl-3-oxo-1H-isoindol-5-yl)amino]-5-oxopentanoic acid

3-(4-chlorophenyl)-5-[(2-methyl-3-oxo-1H-isoindol-5-yl)amino]-5-oxopentanoic acid (PubChem CID 91953209) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[(2-methyl-3-oxo-1H-isoindol-5-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[(2-methyl-3-oxo-1H-isoindol-5-yl)amino]-5-oxopentanoic acid
PubChem CID91953209
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name3-(4-chlorophenyl)-5-[(2-methyl-3-oxo-1H-isoindol-5-yl)amino]-5-oxopentanoic acid
SMILESCN1Cc2ccc(NC(=O)CC(CC(=O)O)c3ccc(Cl)cc3)cc2C1=O
InChIInChI=1S/C20H19ClN2O4/c1-23-11-13-4-7-16(10-17(13)20(23)27)22-18(24)8-14(9-19(25)26)12-2-5-15(21)6-3-12/h2-7,10,14H,8-9,11H2,1H3,(H,22,24)(H,25,26)
InChIKeyJNKUVZNULLAOFO-UHFFFAOYSA-N
XLogP3.51
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-5-(methylamino)-5-oxopentanoic acid
CID 82132170
5-[4-(4-chlorophenoxy)anilino]-3-(4-methylphenyl)-5-oxopentanoic acid
CID 76901440
5-(3-chloro-4-methylanilino)-5-oxo-3-phenylpentanoic acid
CID 2826171
5-(5-chloro-2-hydroxyanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid
CID 66759860
3-acetamido-3-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide
CID 49169432
(3S)-3-(4-chlorophenyl)-5-methoxy-5-oxopentanoic acid
CID 44516385
5-anilino-5-oxo-3-phenylpentanoic acid
CID 2812279
5-[(4-chloro-3-methoxy-1-oxoisochromen-7-yl)amino]-5-oxo-3-phenylpentanoic acid
CID 15022005
ethane;2-methyl-6-propan-2-yl-3H-isoindol-1-one
CID 164902233
2-chloro-N-[(2-methyl-3-oxo-1H-isoindol-5-yl)methyl]acetamide
CID 166415823
N-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide
CID 46365483
3-acetamido-3-(4-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 55492554

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[(2-methyl-3-oxo-1H-isoindol-5-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 3-(4-chlorophenyl)-5-[(2-methyl-3-oxo-1H-isoindol-5-yl)amino]-5-oxopentanoic acid (CID 91953209) is 3-(4-chlorophenyl)-5-[(2-methyl-3-oxo-1H-isoindol-5-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[(2-methyl-3-oxo-1H-isoindol-5-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 3-(4-chlorophenyl)-5-[(2-methyl-3-oxo-1H-isoindol-5-yl)amino]-5-oxopentanoic acid is CN1Cc2ccc(NC(=O)CC(CC(=O)O)c3ccc(Cl)cc3)cc2C1=O.
What is the InChIKey of 3-(4-chlorophenyl)-5-[(2-methyl-3-oxo-1H-isoindol-5-yl)amino]-5-oxopentanoic acid?
The InChIKey is JNKUVZNULLAOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-23-11-13-4-7-16(10-17(13)20(23)27)22-18(24)8-14(9-19(25)26)12-2-5-15(21)6-3-12/h2-7,10,14H,8-9,11H2,1H3,(H,22,24)(H,25,26).
What are the key properties of 3-(4-chlorophenyl)-5-[(2-methyl-3-oxo-1H-isoindol-5-yl)amino]-5-oxopentanoic acid?
3-(4-chlorophenyl)-5-[(2-methyl-3-oxo-1H-isoindol-5-yl)amino]-5-oxopentanoic acid has a molecular weight of 386.84 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[(2-methyl-3-oxo-1H-isoindol-5-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 91953209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).