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

C19H25Cl2N3O2 — CID 131949003

IUPAC1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]-1-methylurea
SMILESCN(CC1CC(=O)N(C2CCCC2)C1)C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H25Cl2N3O2/c1-23(19(26)22-10-14-6-7-15(20)9-17(14)21)11-13-8-18(25)24(12-13)16-4-2-3-5-16/h6-7,9,13,16H,2-5,8,10-12H2,1H3,(H,22,26)
InChIKeyWHCZBQFGIRHDTG-UHFFFAOYSA-N
MW398.33 g/mol
LogP3.93
Rot. Bonds5

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

1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]-1-methylurea (PubChem CID 131949003) has the molecular formula C19H25Cl2N3O2 and a molecular weight of 398.33 g/mol. Its IUPAC name is 1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]-1-methylurea
PubChem CID131949003
Molecular FormulaC19H25Cl2N3O2
Molecular Weight398.33 g/mol
Exact Mass397.13
IUPAC Name1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]-1-methylurea
SMILESCN(CC1CC(=O)N(C2CCCC2)C1)C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H25Cl2N3O2/c1-23(19(26)22-10-14-6-7-15(20)9-17(14)21)11-13-8-18(25)24(12-13)16-4-2-3-5-16/h6-7,9,13,16H,2-5,8,10-12H2,1H3,(H,22,26)
InChIKeyWHCZBQFGIRHDTG-UHFFFAOYSA-N
XLogP3.93
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]urea
CID 131892648
1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea
CID 126448423
1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-methyl-3-(3,4,5-trifluorophenyl)urea
CID 72925137
1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea
CID 125167246
1-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-[3-(triazol-1-yl)propyl]urea
CID 126429358
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N,2,6-trimethylpyrimidine-4-carboxamide
CID 50960371
4-[[(6-chloro-1,3-benzodioxol-5-yl)methyl-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
CID 50968396
1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(2-methyl-1-benzofuran-5-yl)urea
CID 125170612
(3S)-N-[(2-chlorophenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 9364760
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 77097540
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-(difluoromethoxy)-N-methylbenzamide
CID 131910552
(4R)-1-cyclopentyl-4-(methylaminomethyl)pyrrolidin-2-one
CID 26722502

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]-1-methylurea?
The IUPAC name of 1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]-1-methylurea (CID 131949003) is 1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]-1-methylurea.
What is the SMILES notation for 1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]-1-methylurea?
The canonical SMILES for 1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]-1-methylurea is CN(CC1CC(=O)N(C2CCCC2)C1)C(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]-1-methylurea?
The InChIKey is WHCZBQFGIRHDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2N3O2/c1-23(19(26)22-10-14-6-7-15(20)9-17(14)21)11-13-8-18(25)24(12-13)16-4-2-3-5-16/h6-7,9,13,16H,2-5,8,10-12H2,1H3,(H,22,26).
What are the key properties of 1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]-1-methylurea?
1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]-1-methylurea has a molecular weight of 398.33 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 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]-1-methylurea is sourced from PubChem (CID 131949003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).