1-(2-chlorophenyl)-3-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]urea

C18H15ClN4O2 — CID 166541380

IUPAC1-(2-chlorophenyl)-3-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]urea
SMILESN#Cc1cccc(N2CC(NC(=O)Nc3ccccc3Cl)CC2=O)c1
InChIInChI=1S/C18H15ClN4O2/c19-15-6-1-2-7-16(15)22-18(25)21-13-9-17(24)23(11-13)14-5-3-4-12(8-14)10-20/h1-8,13H,9,11H2,(H2,21,22,25)
InChIKeyQVKAXSNZLNCSKB-UHFFFAOYSA-N
MW354.80 g/mol
LogP3.14
Rot. Bonds3

About 1-(2-chlorophenyl)-3-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]urea

1-(2-chlorophenyl)-3-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 166541380) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]urea
PubChem CID166541380
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name1-(2-chlorophenyl)-3-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]urea
SMILESN#Cc1cccc(N2CC(NC(=O)Nc3ccccc3Cl)CC2=O)c1
InChIInChI=1S/C18H15ClN4O2/c19-15-6-1-2-7-16(15)22-18(25)21-13-9-17(24)23(11-13)14-5-3-4-12(8-14)10-20/h1-8,13H,9,11H2,(H2,21,22,25)
InChIKeyQVKAXSNZLNCSKB-UHFFFAOYSA-N
XLogP3.14
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyanophenyl)-N-(2,6-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191969
1-(2,5-dichlorophenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7209063
1-(2,3-dichlorophenyl)-3-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 41128760
1-[1-(4-cyanophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 175838407
1-(3-chloro-2-methylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970493
(3R)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 30121276
N-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]-2-(2,5-dimethylphenyl)acetamide
CID 166541560
1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-fluorophenyl)urea
CID 7215893
2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide
CID 126456615
1-(3-chloro-2-methylphenyl)-3-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7215331
1-(2,3-dichlorophenyl)-3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970048
1-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea
CID 7215573

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]urea (CID 166541380) is 1-(2-chlorophenyl)-3-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]urea is N#Cc1cccc(N2CC(NC(=O)Nc3ccccc3Cl)CC2=O)c1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]urea?
The InChIKey is QVKAXSNZLNCSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c19-15-6-1-2-7-16(15)22-18(25)21-13-9-17(24)23(11-13)14-5-3-4-12(8-14)10-20/h1-8,13H,9,11H2,(H2,21,22,25).
What are the key properties of 1-(2-chlorophenyl)-3-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]urea?
1-(2-chlorophenyl)-3-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 354.80 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 166541380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).