1-(4-chlorophenyl)-3-[2-(4-pyrrolidin-1-ylphenyl)ethyl]urea

C19H22ClN3O — CID 164614196

IUPAC1-(4-chlorophenyl)-3-[2-(4-pyrrolidin-1-ylphenyl)ethyl]urea
SMILESO=C(NCCc1ccc(N2CCCC2)cc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN3O/c20-16-5-7-17(8-6-16)22-19(24)21-12-11-15-3-9-18(10-4-15)23-13-1-2-14-23/h3-10H,1-2,11-14H2,(H2,21,22,24)
InChIKeyPIIDREBWSVCRAE-UHFFFAOYSA-N
MW343.86 g/mol
LogP4.30
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[2-(4-pyrrolidin-1-ylphenyl)ethyl]urea

1-(4-chlorophenyl)-3-[2-(4-pyrrolidin-1-ylphenyl)ethyl]urea (PubChem CID 164614196) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-(4-pyrrolidin-1-ylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-(4-pyrrolidin-1-ylphenyl)ethyl]urea
PubChem CID164614196
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name1-(4-chlorophenyl)-3-[2-(4-pyrrolidin-1-ylphenyl)ethyl]urea
SMILESO=C(NCCc1ccc(N2CCCC2)cc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN3O/c20-16-5-7-17(8-6-16)22-19(24)21-12-11-15-3-9-18(10-4-15)23-13-1-2-14-23/h3-10H,1-2,11-14H2,(H2,21,22,24)
InChIKeyPIIDREBWSVCRAE-UHFFFAOYSA-N
XLogP4.30
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

Pencycuron
CID 91692
1-(4-Chlorophenyl)-3-cyclohexylurea
CID 238899
1-Pyrrolidinecarboxamide, N-(4-chlorophenyl)-
CID 118853
N-(4-Chlorobenzyl)-N'-phenylurea
CID 4150009
1-(4-Chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
1-(4-Chlorophenyl)-3-(P-tolyl)urea
CID 730414
1-Benzyl-3-(4-chlorophenyl)urea
CID 730667
N-(3-Chlorophenyl)-N'-(4-methylphenyl)urea
CID 3819896
1-{3-[(3,5-Dichlorobenzyl)amino]propyl}-3-Phenylurea
CID 57339424
1-(2-Chlorophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 24768229
NAcM-OPT
CID 126711307
1-(4-Chlorophenyl)-3-(4-methylbenzyl)urea
CID 2337855

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-(4-pyrrolidin-1-ylphenyl)ethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-(4-pyrrolidin-1-ylphenyl)ethyl]urea (CID 164614196) is 1-(4-chlorophenyl)-3-[2-(4-pyrrolidin-1-ylphenyl)ethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-(4-pyrrolidin-1-ylphenyl)ethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-(4-pyrrolidin-1-ylphenyl)ethyl]urea is O=C(NCCc1ccc(N2CCCC2)cc1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-(4-pyrrolidin-1-ylphenyl)ethyl]urea?
The InChIKey is PIIDREBWSVCRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c20-16-5-7-17(8-6-16)22-19(24)21-12-11-15-3-9-18(10-4-15)23-13-1-2-14-23/h3-10H,1-2,11-14H2,(H2,21,22,24).
What are the key properties of 1-(4-chlorophenyl)-3-[2-(4-pyrrolidin-1-ylphenyl)ethyl]urea?
1-(4-chlorophenyl)-3-[2-(4-pyrrolidin-1-ylphenyl)ethyl]urea has a molecular weight of 343.86 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-(4-pyrrolidin-1-ylphenyl)ethyl]urea is sourced from PubChem (CID 164614196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).