1-(1-benzylpyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea

C18H19Cl2N3O — CID 24528876

IUPAC1-(1-benzylpyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H19Cl2N3O/c19-16-7-6-14(10-17(16)20)21-18(24)22-15-8-9-23(12-15)11-13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12H2,(H2,21,22,24)
InChIKeyQABBWCBZTLWYKF-UHFFFAOYSA-N
MW364.28 g/mol
LogP4.39
Rot. Bonds4

About 1-(1-benzylpyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea

1-(1-benzylpyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea (PubChem CID 24528876) has the molecular formula C18H19Cl2N3O and a molecular weight of 364.28 g/mol. Its IUPAC name is 1-(1-benzylpyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(1-benzylpyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea
PubChem CID24528876
Molecular FormulaC18H19Cl2N3O
Molecular Weight364.28 g/mol
Exact Mass363.09
IUPAC Name1-(1-benzylpyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H19Cl2N3O/c19-16-7-6-14(10-17(16)20)21-18(24)22-15-8-9-23(12-15)11-13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12H2,(H2,21,22,24)
InChIKeyQABBWCBZTLWYKF-UHFFFAOYSA-N
XLogP4.39
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-3-yl)urea
CID 47349344
1-(1-benzylpiperidin-4-yl)-3-(2,4,5-trichlorophenyl)urea
CID 23825400
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060
1-(1-benzylpyrrolidin-3-yl)-3-(2,6-dimethylphenyl)urea
CID 23852464
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea
CID 3730510
4-(1-benzylpiperidine-4-carbonyl)-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 11576501
1-(1-benzylpyrrolidin-3-yl)-3-(2,4-dimethylphenyl)urea
CID 23905235
N-(1-benzylpiperidin-3-yl)-4-(cyclopropylcarbamoylamino)benzamide
CID 60508760
1-[3-(4-benzylpiperazin-1-yl)propanoylamino]-3-(3,4-dichlorophenyl)urea
CID 18871059
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea?
The IUPAC name of 1-(1-benzylpyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea (CID 24528876) is 1-(1-benzylpyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea.
What is the SMILES notation for 1-(1-benzylpyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea?
The canonical SMILES for 1-(1-benzylpyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea is O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-(1-benzylpyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea?
The InChIKey is QABBWCBZTLWYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O/c19-16-7-6-14(10-17(16)20)21-18(24)22-15-8-9-23(12-15)11-13-4-2-1-3-5-13/h1-7,10,15H,8-9,11-12H2,(H2,21,22,24).
What are the key properties of 1-(1-benzylpyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea?
1-(1-benzylpyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea has a molecular weight of 364.28 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 24528876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).