methyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate

C16H10ClNO4 — CID 2336595

IUPACmethyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O
InChIInChI=1S/C16H10ClNO4/c1-22-16(21)9-6-7-10-11(8-9)15(20)18(14(10)19)13-5-3-2-4-12(13)17/h2-8H,1H3
InChIKeyMUVRSVJPFXXGQN-UHFFFAOYSA-N
MW315.71 g/mol
LogP2.93
Rot. Bonds2

About methyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate

methyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate (PubChem CID 2336595) has the molecular formula C16H10ClNO4 and a molecular weight of 315.71 g/mol. Its IUPAC name is methyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
PubChem CID2336595
Molecular FormulaC16H10ClNO4
Molecular Weight315.71 g/mol
Exact Mass315.03
IUPAC Namemethyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O
InChIInChI=1S/C16H10ClNO4/c1-22-16(21)9-6-7-10-11(8-9)15(20)18(14(10)19)13-5-3-2-4-12(13)17/h2-8H,1H3
InChIKeyMUVRSVJPFXXGQN-UHFFFAOYSA-N
XLogP2.93
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.71
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-oxopropyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 1218329
2-ethoxyethyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 24518426
(4-methoxyphenyl)methyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 16577462
methyl 3-[[2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carbonyl]amino]-2-hydroxybenzoate
CID 108768103
methyl 1,3-dioxo-2-phenylisoindole-5-carboxylate
CID 823415
methyl 2-(2-chlorothiophen-3-yl)-1,3-dioxoisoindole-5-carboxylate
CID 696453
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 16507222
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 2619857
(2-fluorophenyl)methyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 7637726
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 2437348
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 1188306
[1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 55420956

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate?
The IUPAC name of methyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate (CID 2336595) is methyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate.
What is the SMILES notation for methyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate?
The canonical SMILES for methyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate is COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O.
What is the InChIKey of methyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate?
The InChIKey is MUVRSVJPFXXGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO4/c1-22-16(21)9-6-7-10-11(8-9)15(20)18(14(10)19)13-5-3-2-4-12(13)17/h2-8H,1H3.
What are the key properties of methyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate?
methyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate has a molecular weight of 315.71 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate is sourced from PubChem (CID 2336595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).