1-(3-chlorophenyl)-3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea

C19H18ClN3O4 — CID 7552258

About 1-(3-chlorophenyl)-3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea

1-(3-chlorophenyl)-3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 7552258) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

• Compound Name: 1-(3-chlorophenyl)-3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea
• PubChem CID: 7552258
• Molecular Formula: C19H18ClN3O4
• Molecular Weight: 387.82 g/mol
• Exact Mass: 387.10
• IUPAC Name: 1-(3-chlorophenyl)-3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea
• SMILES: O=C(Nc1cccc(Cl)c1)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1
• InChI: InChI=1S/C19H18ClN3O4/c20-12-2-1-3-13(8-12)21-19(25)22-14-9-18(24)23(11-14)15-4-5-16-17(10-15)27-7-6-26-16/h1-5,8,10,14H,6-7,9,11H2,(H2,21,22,25)/t14-/m1/s1
• InChIKey: QLQGXQKMFZGPTL-CQSZACIVSA-N
• XLogP: 3.04
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.82
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea?

The IUPAC name of 1-(3-chlorophenyl)-3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea (CID 7552258) is 1-(3-chlorophenyl)-3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea.

What is the SMILES notation for 1-(3-chlorophenyl)-3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea?

The canonical SMILES for 1-(3-chlorophenyl)-3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea is O=C(Nc1cccc(Cl)c1)N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1.

What is the InChIKey of 1-(3-chlorophenyl)-3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea?

The InChIKey is QLQGXQKMFZGPTL-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c20-12-2-1-3-13(8-12)21-19(25)22-14-9-18(24)23(11-14)15-4-5-16-17(10-15)27-7-6-26-16/h1-5,8,10,14H,6-7,9,11H2,(H2,21,22,25)/t14-/m1/s1.

What are the key properties of 1-(3-chlorophenyl)-3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea?

1-(3-chlorophenyl)-3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 387.82 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chlorophenyl)-3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 7552258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).