1-[(3-chlorophenyl)methyl]-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea

C20H22ClN3O2 — CID 108875971

IUPAC1-[(3-chlorophenyl)methyl]-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
SMILESCC(c1ccccc1)N1CC(NC(=O)NCc2cccc(Cl)c2)CC1=O
InChIInChI=1S/C20H22ClN3O2/c1-14(16-7-3-2-4-8-16)24-13-18(11-19(24)25)23-20(26)22-12-15-6-5-9-17(21)10-15/h2-10,14,18H,11-13H2,1H3,(H2,22,23,26)
InChIKeyVJANXNVNVRTGGW-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.50
Rot. Bonds5

About 1-[(3-chlorophenyl)methyl]-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea

1-[(3-chlorophenyl)methyl]-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea (PubChem CID 108875971) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
PubChem CID108875971
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name1-[(3-chlorophenyl)methyl]-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
SMILESCC(c1ccccc1)N1CC(NC(=O)NCc2cccc(Cl)c2)CC1=O
InChIInChI=1S/C20H22ClN3O2/c1-14(16-7-3-2-4-8-16)24-13-18(11-19(24)25)23-20(26)22-12-15-6-5-9-17(21)10-15/h2-10,14,18H,11-13H2,1H3,(H2,22,23,26)
InChIKeyVJANXNVNVRTGGW-UHFFFAOYSA-N
XLogP3.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]carbamoylamino]methyl]benzoic acid
CID 108875798
N-[2-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]carbamoylamino]ethyl]acetamide
CID 108875898
1-(2,6-dichlorophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875924
methyl 2-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]carbamoylamino]acetate
CID 108875961
1-methyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875834
ethyl 3-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]carbamoylamino]propanoate
CID 108875959
1-(4-amino-2-chlorophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875754
1-(3,5-dimethylphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875895
1-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
CID 42395409
1-benzyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]-1-phenylurea
CID 108875855
1-(4-aminophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875643
methyl 1-[1-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168692613

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea (CID 108875971) is 1-[(3-chlorophenyl)methyl]-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea is CC(c1ccccc1)N1CC(NC(=O)NCc2cccc(Cl)c2)CC1=O.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea?
The InChIKey is VJANXNVNVRTGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-14(16-7-3-2-4-8-16)24-13-18(11-19(24)25)23-20(26)22-12-15-6-5-9-17(21)10-15/h2-10,14,18H,11-13H2,1H3,(H2,22,23,26).
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea?
1-[(3-chlorophenyl)methyl]-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea has a molecular weight of 371.87 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 108875971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).