1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[4-(2-cyanophenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]urea

C24H16ClF3N4O2 — CID 139454953

IUPAC1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[4-(2-cyanophenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]urea
SMILESN#Cc1ccccc1-c1ccc(N2CC[C@@H](NC(=O)Nc3ccc(Cl)cc3F)C2=O)c(F)c1F
InChIInChI=1S/C24H16ClF3N4O2/c25-14-5-7-18(17(26)11-14)30-24(34)31-19-9-10-32(23(19)33)20-8-6-16(21(27)22(20)28)15-4-2-1-3-13(15)12-29/h1-8,11,19H,9-10H2,(H2,30,31,34)/t19-/m1/s1
InChIKeyDUUQWVXMKBMMKS-LJQANCHMSA-N
MW484.87 g/mol
LogP5.22
Rot. Bonds4

About 1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[4-(2-cyanophenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]urea

1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[4-(2-cyanophenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]urea (PubChem CID 139454953) has the molecular formula C24H16ClF3N4O2 and a molecular weight of 484.87 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[4-(2-cyanophenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[4-(2-cyanophenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]urea
PubChem CID139454953
Molecular FormulaC24H16ClF3N4O2
Molecular Weight484.87 g/mol
Exact Mass484.09
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[4-(2-cyanophenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]urea
SMILESN#Cc1ccccc1-c1ccc(N2CC[C@@H](NC(=O)Nc3ccc(Cl)cc3F)C2=O)c(F)c1F
InChIInChI=1S/C24H16ClF3N4O2/c25-14-5-7-18(17(26)11-14)30-24(34)31-19-9-10-32(23(19)33)20-8-6-16(21(27)22(20)28)15-4-2-1-3-13(15)12-29/h1-8,11,19H,9-10H2,(H2,30,31,34)/t19-/m1/s1
InChIKeyDUUQWVXMKBMMKS-LJQANCHMSA-N
XLogP5.22
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.87
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[4-(2-cyanophenyl)-2,3-difluorophenyl]-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-[4-(2-cyanophenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[4-(2-cyanophenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]urea (CID 139454953) is 1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[4-(2-cyanophenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[4-(2-cyanophenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[4-(2-cyanophenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]urea is N#Cc1ccccc1-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-[4-(2-cyanophenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]urea?
The InChIKey is DUUQWVXMKBMMKS-LJQANCHMSA-N. The full InChI is InChI=1S/C24H16ClF3N4O2/c25-14-5-7-18(17(26)11-14)30-24(34)31-19-9-10-32(23(19)33)20-8-6-16(21(27)22(20)28)15-4-2-1-3-13(15)12-29/h1-8,11,19H,9-10H2,(H2,30,31,34)/t19-/m1/s1.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[4-(2-cyanophenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]urea?
1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[4-(2-cyanophenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]urea has a molecular weight of 484.87 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[4-(2-cyanophenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 139454953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).