1-(4-amino-2-chlorophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea

C19H21ClN4O2 — CID 108875754

IUPAC1-(4-amino-2-chlorophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
SMILESCC(c1ccccc1)N1CC(NC(=O)Nc2ccc(N)cc2Cl)CC1=O
InChIInChI=1S/C19H21ClN4O2/c1-12(13-5-3-2-4-6-13)24-11-15(10-18(24)25)22-19(26)23-17-8-7-14(21)9-16(17)20/h2-9,12,15H,10-11,21H2,1H3,(H2,22,23,26)
InChIKeyPLAYBKRNIUIIOX-UHFFFAOYSA-N
MW372.86 g/mol
LogP3.41
Rot. Bonds4

About 1-(4-amino-2-chlorophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea

1-(4-amino-2-chlorophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea (PubChem CID 108875754) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 1-(4-amino-2-chlorophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(4-amino-2-chlorophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
PubChem CID108875754
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name1-(4-amino-2-chlorophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
SMILESCC(c1ccccc1)N1CC(NC(=O)Nc2ccc(N)cc2Cl)CC1=O
InChIInChI=1S/C19H21ClN4O2/c1-12(13-5-3-2-4-6-13)24-11-15(10-18(24)25)22-19(26)23-17-8-7-14(21)9-16(17)20/h2-9,12,15H,10-11,21H2,1H3,(H2,22,23,26)
InChIKeyPLAYBKRNIUIIOX-UHFFFAOYSA-N
XLogP3.41
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875643
1-(2,6-dichlorophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875924
1-(3,5-dimethylphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875895
1-methyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875834
1-(4-acetylphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875746
1-(5-methyl-1,2-oxazol-3-yl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875814
1-(3,4-dimethoxyphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875635
1-(4-methyl-1,3-thiazol-2-yl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875775
1-[(3-chlorophenyl)methyl]-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875971
N-[2-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]carbamoylamino]ethyl]acetamide
CID 108875898
methyl 2-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]carbamoylamino]acetate
CID 108875961
ethyl 3-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]carbamoylamino]propanoate
CID 108875959

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-chlorophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-(4-amino-2-chlorophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea (CID 108875754) is 1-(4-amino-2-chlorophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(4-amino-2-chlorophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-(4-amino-2-chlorophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea is CC(c1ccccc1)N1CC(NC(=O)Nc2ccc(N)cc2Cl)CC1=O.
What is the InChIKey of 1-(4-amino-2-chlorophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea?
The InChIKey is PLAYBKRNIUIIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c1-12(13-5-3-2-4-6-13)24-11-15(10-18(24)25)22-19(26)23-17-8-7-14(21)9-16(17)20/h2-9,12,15H,10-11,21H2,1H3,(H2,22,23,26).
What are the key properties of 1-(4-amino-2-chlorophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea?
1-(4-amino-2-chlorophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea has a molecular weight of 372.86 g/mol, XLogP of 3.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-chlorophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 108875754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).