1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[2,3-difluoro-4-(2-methoxy-3-pyridinyl)phenyl]-2-oxopyrrolidin-3-yl]urea

C23H18ClF3N4O3 — CID 139454980

IUPAC1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[2,3-difluoro-4-(2-methoxy-3-pyridinyl)phenyl]-2-oxopyrrolidin-3-yl]urea
SMILESCOc1ncccc1-c1ccc(N2CC[C@@H](NC(=O)Nc3ccc(Cl)cc3F)C2=O)c(F)c1F
InChIInChI=1S/C23H18ClF3N4O3/c1-34-21-14(3-2-9-28-21)13-5-7-18(20(27)19(13)26)31-10-8-17(22(31)32)30-23(33)29-16-6-4-12(24)11-15(16)25/h2-7,9,11,17H,8,10H2,1H3,(H2,29,30,33)/t17-/m1/s1
InChIKeyQLEQPLBESHSVGF-QGZVFWFLSA-N
MW490.87 g/mol
LogP4.75
Rot. Bonds5

About 1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[2,3-difluoro-4-(2-methoxy-3-pyridinyl)phenyl]-2-oxopyrrolidin-3-yl]urea

1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[2,3-difluoro-4-(2-methoxy-3-pyridinyl)phenyl]-2-oxopyrrolidin-3-yl]urea (PubChem CID 139454980) has the molecular formula C23H18ClF3N4O3 and a molecular weight of 490.87 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[2,3-difluoro-4-(2-methoxy-3-pyridinyl)phenyl]-2-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[2,3-difluoro-4-(2-methoxy-3-pyridinyl)phenyl]-2-oxopyrrolidin-3-yl]urea
PubChem CID139454980
Molecular FormulaC23H18ClF3N4O3
Molecular Weight490.87 g/mol
Exact Mass490.10
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[2,3-difluoro-4-(2-methoxy-3-pyridinyl)phenyl]-2-oxopyrrolidin-3-yl]urea
SMILESCOc1ncccc1-c1ccc(N2CC[C@@H](NC(=O)Nc3ccc(Cl)cc3F)C2=O)c(F)c1F
InChIInChI=1S/C23H18ClF3N4O3/c1-34-21-14(3-2-9-28-21)13-5-7-18(20(27)19(13)26)31-10-8-17(22(31)32)30-23(33)29-16-6-4-12(24)11-15(16)25/h2-7,9,11,17H,8,10H2,1H3,(H2,29,30,33)/t17-/m1/s1
InChIKeyQLEQPLBESHSVGF-QGZVFWFLSA-N
XLogP4.75
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.87
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[2,3-difluoro-4-(2-methoxy-3-pyridinyl)phenyl]-2-oxopyrrolidin-3-yl]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[2,3-difluoro-4-(2-methoxy-3-pyridinyl)phenyl]-2-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[2,3-difluoro-4-(2-methoxy-3-pyridinyl)phenyl]-2-oxopyrrolidin-3-yl]urea (CID 139454980) is 1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[2,3-difluoro-4-(2-methoxy-3-pyridinyl)phenyl]-2-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[2,3-difluoro-4-(2-methoxy-3-pyridinyl)phenyl]-2-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[2,3-difluoro-4-(2-methoxy-3-pyridinyl)phenyl]-2-oxopyrrolidin-3-yl]urea is COc1ncccc1-c1ccc(N2CC[C@@H](NC(=O)Nc3ccc(Cl)cc3F)C2=O)c(F)c1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[2,3-difluoro-4-(2-methoxy-3-pyridinyl)phenyl]-2-oxopyrrolidin-3-yl]urea?
The InChIKey is QLEQPLBESHSVGF-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H18ClF3N4O3/c1-34-21-14(3-2-9-28-21)13-5-7-18(20(27)19(13)26)31-10-8-17(22(31)32)30-23(33)29-16-6-4-12(24)11-15(16)25/h2-7,9,11,17H,8,10H2,1H3,(H2,29,30,33)/t17-/m1/s1.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[2,3-difluoro-4-(2-methoxy-3-pyridinyl)phenyl]-2-oxopyrrolidin-3-yl]urea?
1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[2,3-difluoro-4-(2-methoxy-3-pyridinyl)phenyl]-2-oxopyrrolidin-3-yl]urea has a molecular weight of 490.87 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[2,3-difluoro-4-(2-methoxy-3-pyridinyl)phenyl]-2-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 139454980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).