(5-chloro-2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate

C19H16ClNO5 — CID 8731766

IUPAC(5-chloro-2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
SMILESCOc1ccc(Cl)cc1COC(=O)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C19H16ClNO5/c1-25-16-7-4-14(20)10-13(16)11-26-19(24)12-2-5-15(6-3-12)21-17(22)8-9-18(21)23/h2-7,10H,8-9,11H2,1H3
InChIKeyKFYPQYRTKLOXAM-UHFFFAOYSA-N
MW373.79 g/mol
LogP3.36
Rot. Bonds5

About (5-chloro-2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate

(5-chloro-2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate (PubChem CID 8731766) has the molecular formula C19H16ClNO5 and a molecular weight of 373.79 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
PubChem CID8731766
Molecular FormulaC19H16ClNO5
Molecular Weight373.79 g/mol
Exact Mass373.07
IUPAC Name(5-chloro-2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
SMILESCOc1ccc(Cl)cc1COC(=O)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C19H16ClNO5/c1-25-16-7-4-14(20)10-13(16)11-26-19(24)12-2-5-15(6-3-12)21-17(22)8-9-18(21)23/h2-7,10H,8-9,11H2,1H3
InChIKeyKFYPQYRTKLOXAM-UHFFFAOYSA-N
XLogP3.36
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.79
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204277
(4-chlorophenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204282
(2,5-dimethoxyphenyl)methyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 8808611
(5-chloro-2-methoxyphenyl)methyl 2-methyl-1,3-dioxoisoindole-5-carboxylate
CID 27478473
(5-fluoro-2-methoxyphenyl)methyl 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952819
(2-ethoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204414
(2-methoxy-5-nitrophenyl)methyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 55307194
(5-chloro-2-methoxyphenyl)methyl 4-chloro-3-methylsulfonylbenzoate
CID 27529077
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204321
(3-methylphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204428
2-methylpropyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 50888168
(5-chloro-2-methoxyphenyl)methyl 5-methylpyrazine-2-carboxylate
CID 26757554

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate?
The IUPAC name of (5-chloro-2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate (CID 8731766) is (5-chloro-2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate?
The canonical SMILES for (5-chloro-2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate is COc1ccc(Cl)cc1COC(=O)c1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate?
The InChIKey is KFYPQYRTKLOXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO5/c1-25-16-7-4-14(20)10-13(16)11-26-19(24)12-2-5-15(6-3-12)21-17(22)8-9-18(21)23/h2-7,10H,8-9,11H2,1H3.
What are the key properties of (5-chloro-2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate?
(5-chloro-2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate has a molecular weight of 373.79 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 8731766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).