1-butyl-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-phenylurea

C21H24ClN3O2 — CID 43970459

IUPAC1-butyl-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-phenylurea
SMILESCCCCN(C(=O)NC1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1
InChIInChI=1S/C21H24ClN3O2/c1-2-3-13-24(18-7-5-4-6-8-18)21(27)23-17-14-20(26)25(15-17)19-11-9-16(22)10-12-19/h4-12,17H,2-3,13-15H2,1H3,(H,23,27)
InChIKeyDGSIRWSWMHAMQE-UHFFFAOYSA-N
MW385.90 g/mol
LogP4.46
Rot. Bonds6

About 1-butyl-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-phenylurea

1-butyl-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-phenylurea (PubChem CID 43970459) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 1-butyl-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-phenylurea.

Molecular Properties

Compound Name1-butyl-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-phenylurea
PubChem CID43970459
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name1-butyl-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-phenylurea
SMILESCCCCN(C(=O)NC1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1
InChIInChI=1S/C21H24ClN3O2/c1-2-3-13-24(18-7-5-4-6-8-18)21(27)23-17-14-20(26)25(15-17)19-11-9-16(22)10-12-19/h4-12,17H,2-3,13-15H2,1H3,(H,23,27)
InChIKeyDGSIRWSWMHAMQE-UHFFFAOYSA-N
XLogP4.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-butyl-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-phenylurea with MolForge

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

Launch Full Analysis

Related Compounds

1-butyl-3-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1-phenylurea
CID 43969590
1-butyl-3-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-phenylurea
CID 7552484
1-butyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-phenylurea
CID 7547284
1-benzyl-3-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-(2-hydroxyethyl)urea
CID 7215846
1-butyl-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methylurea
CID 7544783
3-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methylpropyl)urea
CID 7548497
1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564044
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7564007
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7564006
N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]butanamide
CID 7546570
1-benzyl-1-butyl-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7542919
1-ethyl-1-(2-hydroxyethyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513218

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-phenylurea?
The IUPAC name of 1-butyl-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-phenylurea (CID 43970459) is 1-butyl-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-phenylurea.
What is the SMILES notation for 1-butyl-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-phenylurea?
The canonical SMILES for 1-butyl-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-phenylurea is CCCCN(C(=O)NC1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1.
What is the InChIKey of 1-butyl-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-phenylurea?
The InChIKey is DGSIRWSWMHAMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-2-3-13-24(18-7-5-4-6-8-18)21(27)23-17-14-20(26)25(15-17)19-11-9-16(22)10-12-19/h4-12,17H,2-3,13-15H2,1H3,(H,23,27).
What are the key properties of 1-butyl-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-phenylurea?
1-butyl-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-phenylurea has a molecular weight of 385.90 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-phenylurea is sourced from PubChem (CID 43970459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).