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

C23H17ClF3N3O2 — CID 139455018

IUPAC1-(4-chlorophenyl)-3-[(3R)-1-[2,3-difluoro-4-(2-fluorophenyl)phenyl]-2-oxopyrrolidin-3-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)N[C@@H]1CCN(c2ccc(-c3ccccc3F)c(F)c2F)C1=O
InChIInChI=1S/C23H17ClF3N3O2/c24-13-5-7-14(8-6-13)28-23(32)29-18-11-12-30(22(18)31)19-10-9-16(20(26)21(19)27)15-3-1-2-4-17(15)25/h1-10,18H,11-12H2,(H2,28,29,32)/t18-/m1/s1
InChIKeyIQFNGNSHVVYUNT-GOSISDBHSA-N
MW459.86 g/mol
LogP5.35
Rot. Bonds4

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

1-(4-chlorophenyl)-3-[(3R)-1-[2,3-difluoro-4-(2-fluorophenyl)phenyl]-2-oxopyrrolidin-3-yl]urea (PubChem CID 139455018) has the molecular formula C23H17ClF3N3O2 and a molecular weight of 459.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(3R)-1-[2,3-difluoro-4-(2-fluorophenyl)phenyl]-2-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(3R)-1-[2,3-difluoro-4-(2-fluorophenyl)phenyl]-2-oxopyrrolidin-3-yl]urea
PubChem CID139455018
Molecular FormulaC23H17ClF3N3O2
Molecular Weight459.86 g/mol
Exact Mass459.10
IUPAC Name1-(4-chlorophenyl)-3-[(3R)-1-[2,3-difluoro-4-(2-fluorophenyl)phenyl]-2-oxopyrrolidin-3-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)N[C@@H]1CCN(c2ccc(-c3ccccc3F)c(F)c2F)C1=O
InChIInChI=1S/C23H17ClF3N3O2/c24-13-5-7-14(8-6-13)28-23(32)29-18-11-12-30(22(18)31)19-10-9-16(20(26)21(19)27)15-3-1-2-4-17(15)25/h1-10,18H,11-12H2,(H2,28,29,32)/t18-/m1/s1
InChIKeyIQFNGNSHVVYUNT-GOSISDBHSA-N
XLogP5.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.86
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-3-[(3R)-1-[2,3-difluoro-4-(2-fluorophenyl)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-chlorophenyl)-3-[(3R)-1-[2,3-difluoro-4-(2-fluorophenyl)phenyl]-2-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(3R)-1-[2,3-difluoro-4-(2-fluorophenyl)phenyl]-2-oxopyrrolidin-3-yl]urea (CID 139455018) is 1-(4-chlorophenyl)-3-[(3R)-1-[2,3-difluoro-4-(2-fluorophenyl)phenyl]-2-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(3R)-1-[2,3-difluoro-4-(2-fluorophenyl)phenyl]-2-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(3R)-1-[2,3-difluoro-4-(2-fluorophenyl)phenyl]-2-oxopyrrolidin-3-yl]urea is O=C(Nc1ccc(Cl)cc1)N[C@@H]1CCN(c2ccc(-c3ccccc3F)c(F)c2F)C1=O.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(3R)-1-[2,3-difluoro-4-(2-fluorophenyl)phenyl]-2-oxopyrrolidin-3-yl]urea?
The InChIKey is IQFNGNSHVVYUNT-GOSISDBHSA-N. The full InChI is InChI=1S/C23H17ClF3N3O2/c24-13-5-7-14(8-6-13)28-23(32)29-18-11-12-30(22(18)31)19-10-9-16(20(26)21(19)27)15-3-1-2-4-17(15)25/h1-10,18H,11-12H2,(H2,28,29,32)/t18-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-3-[(3R)-1-[2,3-difluoro-4-(2-fluorophenyl)phenyl]-2-oxopyrrolidin-3-yl]urea?
1-(4-chlorophenyl)-3-[(3R)-1-[2,3-difluoro-4-(2-fluorophenyl)phenyl]-2-oxopyrrolidin-3-yl]urea has a molecular weight of 459.86 g/mol, XLogP of 5.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(3R)-1-[2,3-difluoro-4-(2-fluorophenyl)phenyl]-2-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 139455018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).