1-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea

C16H21ClFN3O2 — CID 124568535

IUPAC1-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea
SMILESCC(C)[C@@H](NC(=O)N[C@@H]1CCN(C)C1=O)c1ccc(Cl)cc1F
InChIInChI=1S/C16H21ClFN3O2/c1-9(2)14(11-5-4-10(17)8-12(11)18)20-16(23)19-13-6-7-21(3)15(13)22/h4-5,8-9,13-14H,6-7H2,1-3H3,(H2,19,20,23)/t13-,14-/m1/s1
InChIKeyYCUXNHHFDZOHLC-ZIAGYGMSSA-N
MW341.81 g/mol
LogP2.71
Rot. Bonds4

About 1-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea

1-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea (PubChem CID 124568535) has the molecular formula C16H21ClFN3O2 and a molecular weight of 341.81 g/mol. Its IUPAC name is 1-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea
PubChem CID124568535
Molecular FormulaC16H21ClFN3O2
Molecular Weight341.81 g/mol
Exact Mass341.13
IUPAC Name1-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea
SMILESCC(C)[C@@H](NC(=O)N[C@@H]1CCN(C)C1=O)c1ccc(Cl)cc1F
InChIInChI=1S/C16H21ClFN3O2/c1-9(2)14(11-5-4-10(17)8-12(11)18)20-16(23)19-13-6-7-21(3)15(13)22/h4-5,8-9,13-14H,6-7H2,1-3H3,(H2,19,20,23)/t13-,14-/m1/s1
InChIKeyYCUXNHHFDZOHLC-ZIAGYGMSSA-N
XLogP2.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.81
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-3-[(3R)-1-methyl-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-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea (CID 124568535) is 1-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea is CC(C)[C@@H](NC(=O)N[C@@H]1CCN(C)C1=O)c1ccc(Cl)cc1F.
What is the InChIKey of 1-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea?
The InChIKey is YCUXNHHFDZOHLC-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H21ClFN3O2/c1-9(2)14(11-5-4-10(17)8-12(11)18)20-16(23)19-13-6-7-21(3)15(13)22/h4-5,8-9,13-14H,6-7H2,1-3H3,(H2,19,20,23)/t13-,14-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea?
1-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea has a molecular weight of 341.81 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 124568535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).