1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]urea

C18H23Cl2N3O2 — CID 131892648

IUPAC1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]urea
SMILESO=C(NCc1ccc(Cl)cc1Cl)NCC1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C18H23Cl2N3O2/c19-14-6-5-13(16(20)8-14)10-22-18(25)21-9-12-7-17(24)23(11-12)15-3-1-2-4-15/h5-6,8,12,15H,1-4,7,9-11H2,(H2,21,22,25)
InChIKeyUDWJZPIEWVDHSD-UHFFFAOYSA-N
MW384.31 g/mol
LogP3.58
Rot. Bonds5

About 1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]urea

1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]urea (PubChem CID 131892648) has the molecular formula C18H23Cl2N3O2 and a molecular weight of 384.31 g/mol. Its IUPAC name is 1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]urea
PubChem CID131892648
Molecular FormulaC18H23Cl2N3O2
Molecular Weight384.31 g/mol
Exact Mass383.12
IUPAC Name1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]urea
SMILESO=C(NCc1ccc(Cl)cc1Cl)NCC1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C18H23Cl2N3O2/c19-14-6-5-13(16(20)8-14)10-22-18(25)21-9-12-7-17(24)23(11-12)15-3-1-2-4-15/h5-6,8,12,15H,1-4,7,9-11H2,(H2,21,22,25)
InChIKeyUDWJZPIEWVDHSD-UHFFFAOYSA-N
XLogP3.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]urea with MolForge

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Related Compounds

1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]-1-methylurea
CID 131949003
1-(3-chlorophenyl)-3-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]urea
CID 110747933
1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(4-methyl-3-pyridinyl)methyl]urea
CID 138010415
1-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-3-(naphthalen-2-ylmethyl)urea
CID 99820423
(3S)-N-[(2-chlorophenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 9364760
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-2-fluoro-4-methylbenzamide
CID 125174216
1-cyclohexyl-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2927358
1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine
CID 43317354
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 110719865
(3R)-3-amino-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 126422673
1-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]-3-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]urea
CID 99793991
1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea
CID 75500635

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]urea?
The IUPAC name of 1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]urea (CID 131892648) is 1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]urea.
What is the SMILES notation for 1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]urea?
The canonical SMILES for 1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]urea is O=C(NCc1ccc(Cl)cc1Cl)NCC1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of 1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]urea?
The InChIKey is UDWJZPIEWVDHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2N3O2/c19-14-6-5-13(16(20)8-14)10-22-18(25)21-9-12-7-17(24)23(11-12)15-3-1-2-4-15/h5-6,8,12,15H,1-4,7,9-11H2,(H2,21,22,25).
What are the key properties of 1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]urea?
1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]urea has a molecular weight of 384.31 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]urea is sourced from PubChem (CID 131892648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).