1-(4-chlorophenyl)-3-[(3R,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]urea

C18H18ClN3O3 — CID 122592369

IUPAC1-(4-chlorophenyl)-3-[(3R,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]urea
SMILESCOc1ccc([C@@H]2CNC(=O)[C@@H]2NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H18ClN3O3/c1-25-14-8-2-11(3-9-14)15-10-20-17(23)16(15)22-18(24)21-13-6-4-12(19)5-7-13/h2-9,15-16H,10H2,1H3,(H,20,23)(H2,21,22,24)/t15-,16+/m0/s1
InChIKeyKHWQLQMKSMNUBQ-JKSUJKDBSA-N
MW359.81 g/mol
LogP2.75
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[(3R,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]urea

1-(4-chlorophenyl)-3-[(3R,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]urea (PubChem CID 122592369) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(3R,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(3R,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]urea
PubChem CID122592369
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Name1-(4-chlorophenyl)-3-[(3R,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]urea
SMILESCOc1ccc([C@@H]2CNC(=O)[C@@H]2NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H18ClN3O3/c1-25-14-8-2-11(3-9-14)15-10-20-17(23)16(15)22-18(24)21-13-6-4-12(19)5-7-13/h2-9,15-16H,10H2,1H3,(H,20,23)(H2,21,22,24)/t15-,16+/m0/s1
InChIKeyKHWQLQMKSMNUBQ-JKSUJKDBSA-N
XLogP2.75
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(3R,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(3R,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]urea (CID 122592369) is 1-(4-chlorophenyl)-3-[(3R,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(3R,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(3R,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]urea is COc1ccc([C@@H]2CNC(=O)[C@@H]2NC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(3R,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]urea?
The InChIKey is KHWQLQMKSMNUBQ-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-25-14-8-2-11(3-9-14)15-10-20-17(23)16(15)22-18(24)21-13-6-4-12(19)5-7-13/h2-9,15-16H,10H2,1H3,(H,20,23)(H2,21,22,24)/t15-,16+/m0/s1.
What are the key properties of 1-(4-chlorophenyl)-3-[(3R,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]urea?
1-(4-chlorophenyl)-3-[(3R,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]urea has a molecular weight of 359.81 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(3R,4R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 122592369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).