1-(4-amino-3-chlorophenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea

C15H21ClN4O2 — CID 108876118

IUPAC1-(4-amino-3-chlorophenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea
SMILESCC(C)(C)N1CC(NC(=O)Nc2ccc(N)c(Cl)c2)CC1=O
InChIInChI=1S/C15H21ClN4O2/c1-15(2,3)20-8-10(7-13(20)21)19-14(22)18-9-4-5-12(17)11(16)6-9/h4-6,10H,7-8,17H2,1-3H3,(H2,18,19,22)
InChIKeyGQJBPZCTUJYPKT-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.44
Rot. Bonds2

About 1-(4-amino-3-chlorophenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea

1-(4-amino-3-chlorophenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea (PubChem CID 108876118) has the molecular formula C15H21ClN4O2 and a molecular weight of 324.81 g/mol. Its IUPAC name is 1-(4-amino-3-chlorophenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-(4-amino-3-chlorophenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea
PubChem CID108876118
Molecular FormulaC15H21ClN4O2
Molecular Weight324.81 g/mol
Exact Mass324.14
IUPAC Name1-(4-amino-3-chlorophenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea
SMILESCC(C)(C)N1CC(NC(=O)Nc2ccc(N)c(Cl)c2)CC1=O
InChIInChI=1S/C15H21ClN4O2/c1-15(2,3)20-8-10(7-13(20)21)19-14(22)18-9-4-5-12(17)11(16)6-9/h4-6,10H,7-8,17H2,1-3H3,(H2,18,19,22)
InChIKeyGQJBPZCTUJYPKT-UHFFFAOYSA-N
XLogP2.44
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(4-amino-3-chlorophenyl)-3-(1-tert-butyl-5-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

Related Compounds

1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea
CID 108876025
1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(3,4-dimethoxyphenyl)urea
CID 108876008
1-(2-amino-5-methylphenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea
CID 108876310
4-[(1-tert-butyl-5-oxopyrrolidin-3-yl)carbamoylamino]benzenesulfonic acid
CID 108876019
methyl 4-[(1-tert-butyl-5-oxopyrrolidin-3-yl)carbamoylamino]benzoate
CID 108876214
1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(3-methoxyphenyl)urea
CID 108876138
1-(3,4-dichlorophenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969456
1-(3-chloro-4-methylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876749
1-(3,4-dichlorophenyl)-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7543572
1-(3-chloro-4-fluorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876969
1-(3-chloro-4-fluorophenyl)-3-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513912
1-(3,4-dichlorophenyl)-3-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7545335

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-chlorophenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea?
The IUPAC name of 1-(4-amino-3-chlorophenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea (CID 108876118) is 1-(4-amino-3-chlorophenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea.
What is the SMILES notation for 1-(4-amino-3-chlorophenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea?
The canonical SMILES for 1-(4-amino-3-chlorophenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea is CC(C)(C)N1CC(NC(=O)Nc2ccc(N)c(Cl)c2)CC1=O.
What is the InChIKey of 1-(4-amino-3-chlorophenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea?
The InChIKey is GQJBPZCTUJYPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O2/c1-15(2,3)20-8-10(7-13(20)21)19-14(22)18-9-4-5-12(17)11(16)6-9/h4-6,10H,7-8,17H2,1-3H3,(H2,18,19,22).
What are the key properties of 1-(4-amino-3-chlorophenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea?
1-(4-amino-3-chlorophenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea has a molecular weight of 324.81 g/mol, XLogP of 2.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-chlorophenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea is sourced from PubChem (CID 108876118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).