1-(4-chlorophenyl)-3-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]urea

C15H20ClN3O2 — CID 110749341

IUPAC1-(4-chlorophenyl)-3-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]urea
SMILESCC(C)N1CC(CNC(=O)Nc2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C15H20ClN3O2/c1-10(2)19-9-11(7-14(19)20)8-17-15(21)18-13-5-3-12(16)4-6-13/h3-6,10-11H,7-9H2,1-2H3,(H2,17,18,21)
InChIKeyKMSBUCCTBNURDU-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.72
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]urea

1-(4-chlorophenyl)-3-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]urea (PubChem CID 110749341) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]urea
PubChem CID110749341
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name1-(4-chlorophenyl)-3-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]urea
SMILESCC(C)N1CC(CNC(=O)Nc2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C15H20ClN3O2/c1-10(2)19-9-11(7-14(19)20)8-17-15(21)18-13-5-3-12(16)4-6-13/h3-6,10-11H,7-9H2,1-2H3,(H2,17,18,21)
InChIKeyKMSBUCCTBNURDU-UHFFFAOYSA-N
XLogP2.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-chlorophenyl)urea
CID 3025488
1-(4-chlorophenyl)-3-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40913146
N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 110737220
3-methyl-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]butanamide
CID 110737177
1-(3-chloro-4-fluorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876969
2-(4-fluorophenyl)-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 110737209
1-(4-fluorophenyl)-3-[[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]urea
CID 40923279
2-[2-(4-chlorophenyl)propyl]-3-oxo-N-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-isoindole-1-carboxamide
CID 68772223
1-(4-fluorophenyl)-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920080
1-(3-chlorophenyl)-3-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]urea
CID 110747933
1-(3-chloro-4-methylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876749
5-oxo-1-propan-2-yl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 2951809

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]urea (CID 110749341) is 1-(4-chlorophenyl)-3-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]urea is CC(C)N1CC(CNC(=O)Nc2ccc(Cl)cc2)CC1=O.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]urea?
The InChIKey is KMSBUCCTBNURDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-10(2)19-9-11(7-14(19)20)8-17-15(21)18-13-5-3-12(16)4-6-13/h3-6,10-11H,7-9H2,1-2H3,(H2,17,18,21).
What are the key properties of 1-(4-chlorophenyl)-3-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]urea?
1-(4-chlorophenyl)-3-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]urea has a molecular weight of 309.80 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]urea is sourced from PubChem (CID 110749341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).