(7-chloro-1,3-benzodioxol-5-yl)methyl 4-(2-oxopyrrolidin-1-yl)benzoate

C19H16ClNO5 — CID 24557972

IUPAC(7-chloro-1,3-benzodioxol-5-yl)methyl 4-(2-oxopyrrolidin-1-yl)benzoate
SMILESO=C(OCc1cc(Cl)c2c(c1)OCO2)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H16ClNO5/c20-15-8-12(9-16-18(15)26-11-25-16)10-24-19(23)13-3-5-14(6-4-13)21-7-1-2-17(21)22/h3-6,8-9H,1-2,7,10-11H2
InChIKeyROEPYFZLYUPYJW-UHFFFAOYSA-N
MW373.79 g/mol
LogP3.55
Rot. Bonds4

About (7-chloro-1,3-benzodioxol-5-yl)methyl 4-(2-oxopyrrolidin-1-yl)benzoate

(7-chloro-1,3-benzodioxol-5-yl)methyl 4-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 24557972) has the molecular formula C19H16ClNO5 and a molecular weight of 373.79 g/mol. Its IUPAC name is (7-chloro-1,3-benzodioxol-5-yl)methyl 4-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name(7-chloro-1,3-benzodioxol-5-yl)methyl 4-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID24557972
Molecular FormulaC19H16ClNO5
Molecular Weight373.79 g/mol
Exact Mass373.07
IUPAC Name(7-chloro-1,3-benzodioxol-5-yl)methyl 4-(2-oxopyrrolidin-1-yl)benzoate
SMILESO=C(OCc1cc(Cl)c2c(c1)OCO2)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H16ClNO5/c20-15-8-12(9-16-18(15)26-11-25-16)10-24-19(23)13-3-5-14(6-4-13)21-7-1-2-17(21)22/h3-6,8-9H,1-2,7,10-11H2
InChIKeyROEPYFZLYUPYJW-UHFFFAOYSA-N
XLogP3.55
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.79
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7-chloro-1,3-benzodioxol-5-yl)methyl 4-(2-oxopyrrolidin-1-yl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate
CID 9476010
(7-chloro-1,3-benzodioxol-5-yl)methyl 3-phenoxybenzoate
CID 7603481
(7-chloro-1,3-benzodioxol-5-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate
CID 24557812
(5-fluoro-2-methoxyphenyl)methyl 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952819
(7-chloro-1,3-benzodioxol-5-yl)methyl 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 55476140
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3,5-dimethylbenzoate
CID 7604452
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-hydroxybenzoate
CID 8647274
methyl 4-[(E)-3-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]-3-oxoprop-1-enyl]benzoate
CID 8857479
(7-chloro-1,3-benzodioxol-5-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 55458749
N-(1,3-benzodioxol-5-ylmethyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18093380
(7-chloro-1,3-benzodioxol-5-yl)methyl 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetate
CID 55543141
[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7404656

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1,3-benzodioxol-5-yl)methyl 4-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of (7-chloro-1,3-benzodioxol-5-yl)methyl 4-(2-oxopyrrolidin-1-yl)benzoate (CID 24557972) is (7-chloro-1,3-benzodioxol-5-yl)methyl 4-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for (7-chloro-1,3-benzodioxol-5-yl)methyl 4-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for (7-chloro-1,3-benzodioxol-5-yl)methyl 4-(2-oxopyrrolidin-1-yl)benzoate is O=C(OCc1cc(Cl)c2c(c1)OCO2)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of (7-chloro-1,3-benzodioxol-5-yl)methyl 4-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is ROEPYFZLYUPYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO5/c20-15-8-12(9-16-18(15)26-11-25-16)10-24-19(23)13-3-5-14(6-4-13)21-7-1-2-17(21)22/h3-6,8-9H,1-2,7,10-11H2.
What are the key properties of (7-chloro-1,3-benzodioxol-5-yl)methyl 4-(2-oxopyrrolidin-1-yl)benzoate?
(7-chloro-1,3-benzodioxol-5-yl)methyl 4-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 373.79 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1,3-benzodioxol-5-yl)methyl 4-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 24557972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).