1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-chlorophenyl)urea

C19H20ClN3O2 — CID 3025488

IUPAC1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-chlorophenyl)urea
SMILESO=C(NCC1CC(=O)N(Cc2ccccc2)C1)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O2/c20-16-6-8-17(9-7-16)22-19(25)21-11-15-10-18(24)23(13-15)12-14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H2,21,22,25)
InChIKeyWAKPLCFYMSAMQY-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.51
Rot. Bonds5

About 1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-chlorophenyl)urea

1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-chlorophenyl)urea (PubChem CID 3025488) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-chlorophenyl)urea
PubChem CID3025488
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-chlorophenyl)urea
SMILESO=C(NCC1CC(=O)N(Cc2ccccc2)C1)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O2/c20-16-6-8-17(9-7-16)22-19(25)21-11-15-10-18(24)23(13-15)12-14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H2,21,22,25)
InChIKeyWAKPLCFYMSAMQY-UHFFFAOYSA-N
XLogP3.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-3-[[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]urea
CID 40923279
1-(3-chlorophenyl)-3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 110413373
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 16919346
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide
CID 16919256
3-[(1-benzyl-5-oxopyrrolidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 139022011
1-(4-chlorophenyl)-3-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]urea
CID 110749341
benzyl N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]carbamate
CID 16919390
1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 16920317
N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 40898464
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 40898459
2-(4-chlorophenyl)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640183
1-(4-chlorophenyl)-3-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40913146

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-chlorophenyl)urea (CID 3025488) is 1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-chlorophenyl)urea is O=C(NCC1CC(=O)N(Cc2ccccc2)C1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-chlorophenyl)urea?
The InChIKey is WAKPLCFYMSAMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c20-16-6-8-17(9-7-16)22-19(25)21-11-15-10-18(24)23(13-15)12-14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H2,21,22,25).
What are the key properties of 1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-chlorophenyl)urea?
1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-chlorophenyl)urea has a molecular weight of 357.84 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 3025488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).