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

C18H14ClNO4 — CID 7204282

IUPAC(4-chlorophenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
SMILESO=C(OCc1ccc(Cl)cc1)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C18H14ClNO4/c19-14-5-1-12(2-6-14)11-24-18(23)13-3-7-15(8-4-13)20-16(21)9-10-17(20)22/h1-8H,9-11H2
InChIKeyNGNWRYIGVLKLBD-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.35
Rot. Bonds4

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

(4-chlorophenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate (PubChem CID 7204282) has the molecular formula C18H14ClNO4 and a molecular weight of 343.77 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
PubChem CID7204282
Molecular FormulaC18H14ClNO4
Molecular Weight343.77 g/mol
Exact Mass343.06
IUPAC Name(4-chlorophenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
SMILESO=C(OCc1ccc(Cl)cc1)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C18H14ClNO4/c19-14-5-1-12(2-6-14)11-24-18(23)13-3-7-15(8-4-13)20-16(21)9-10-17(20)22/h1-8H,9-11H2
InChIKeyNGNWRYIGVLKLBD-UHFFFAOYSA-N
XLogP3.35
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.35
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-[(4-chlorophenyl)methylamino]-2-oxoethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204316
(5-chloro-2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 8731766
(3-methylphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204428
2-methylpropyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 50888168
(4-chlorophenyl)methyl 4-(methylsulfonylmethyl)benzoate
CID 7753128
benzyl 2-chloro-5-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 50888142
(2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204277
(4-chlorophenyl)methyl 4-cyanobenzoate
CID 2592542
(4-chlorophenyl)methyl 4-(trifluoromethyl)benzoate
CID 599354
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204321
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204411
(4-chlorophenyl)methyl 3,4-dichlorobenzoate
CID 977859

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate?
The IUPAC name of (4-chlorophenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate (CID 7204282) is (4-chlorophenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for (4-chlorophenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate?
The canonical SMILES for (4-chlorophenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate is O=C(OCc1ccc(Cl)cc1)c1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of (4-chlorophenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate?
The InChIKey is NGNWRYIGVLKLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO4/c19-14-5-1-12(2-6-14)11-24-18(23)13-3-7-15(8-4-13)20-16(21)9-10-17(20)22/h1-8H,9-11H2.
What are the key properties of (4-chlorophenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate?
(4-chlorophenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate has a molecular weight of 343.77 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 7204282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).