1-(4-fluorophenyl)-3-[(3S,4R)-4-(4-methoxy-2-methylphenyl)-2-oxopyrrolidin-3-yl]urea

C19H20FN3O3 — CID 122583163

IUPAC1-(4-fluorophenyl)-3-[(3S,4R)-4-(4-methoxy-2-methylphenyl)-2-oxopyrrolidin-3-yl]urea
SMILESCOc1ccc([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C19H20FN3O3/c1-11-9-14(26-2)7-8-15(11)16-10-21-18(24)17(16)23-19(25)22-13-5-3-12(20)4-6-13/h3-9,16-17H,10H2,1-2H3,(H,21,24)(H2,22,23,25)/t16-,17-/m0/s1
InChIKeyLDSSICJUWCVGHT-IRXDYDNUSA-N
MW357.39 g/mol
LogP2.55
Rot. Bonds4

About 1-(4-fluorophenyl)-3-[(3S,4R)-4-(4-methoxy-2-methylphenyl)-2-oxopyrrolidin-3-yl]urea

1-(4-fluorophenyl)-3-[(3S,4R)-4-(4-methoxy-2-methylphenyl)-2-oxopyrrolidin-3-yl]urea (PubChem CID 122583163) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[(3S,4R)-4-(4-methoxy-2-methylphenyl)-2-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[(3S,4R)-4-(4-methoxy-2-methylphenyl)-2-oxopyrrolidin-3-yl]urea
PubChem CID122583163
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name1-(4-fluorophenyl)-3-[(3S,4R)-4-(4-methoxy-2-methylphenyl)-2-oxopyrrolidin-3-yl]urea
SMILESCOc1ccc([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C19H20FN3O3/c1-11-9-14(26-2)7-8-15(11)16-10-21-18(24)17(16)23-19(25)22-13-5-3-12(20)4-6-13/h3-9,16-17H,10H2,1-2H3,(H,21,24)(H2,22,23,25)/t16-,17-/m0/s1
InChIKeyLDSSICJUWCVGHT-IRXDYDNUSA-N
XLogP2.55
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[(3S,4R)-4-(4-methoxy-2-methylphenyl)-2-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[(3S,4R)-4-(4-methoxy-2-methylphenyl)-2-oxopyrrolidin-3-yl]urea (CID 122583163) is 1-(4-fluorophenyl)-3-[(3S,4R)-4-(4-methoxy-2-methylphenyl)-2-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[(3S,4R)-4-(4-methoxy-2-methylphenyl)-2-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[(3S,4R)-4-(4-methoxy-2-methylphenyl)-2-oxopyrrolidin-3-yl]urea is COc1ccc([C@@H]2CNC(=O)[C@H]2NC(=O)Nc2ccc(F)cc2)c(C)c1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[(3S,4R)-4-(4-methoxy-2-methylphenyl)-2-oxopyrrolidin-3-yl]urea?
The InChIKey is LDSSICJUWCVGHT-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-11-9-14(26-2)7-8-15(11)16-10-21-18(24)17(16)23-19(25)22-13-5-3-12(20)4-6-13/h3-9,16-17H,10H2,1-2H3,(H,21,24)(H2,22,23,25)/t16-,17-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-3-[(3S,4R)-4-(4-methoxy-2-methylphenyl)-2-oxopyrrolidin-3-yl]urea?
1-(4-fluorophenyl)-3-[(3S,4R)-4-(4-methoxy-2-methylphenyl)-2-oxopyrrolidin-3-yl]urea has a molecular weight of 357.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[(3S,4R)-4-(4-methoxy-2-methylphenyl)-2-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 122583163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).