3-(4-chlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea

C15H22ClN3O — CID 106613335

IUPAC3-(4-chlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea
SMILESCCCN(CC1CCCN1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN3O/c1-2-10-19(11-14-4-3-9-17-14)15(20)18-13-7-5-12(16)6-8-13/h5-8,14,17H,2-4,9-11H2,1H3,(H,18,20)
InChIKeyHBDZHAHPWPSVCG-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.34
Rot. Bonds5

About 3-(4-chlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea

3-(4-chlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea (PubChem CID 106613335) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea
PubChem CID106613335
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name3-(4-chlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea
SMILESCCCN(CC1CCCN1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN3O/c1-2-10-19(11-14-4-3-9-17-14)15(20)18-13-7-5-12(16)6-8-13/h5-8,14,17H,2-4,9-11H2,1H3,(H,18,20)
InChIKeyHBDZHAHPWPSVCG-UHFFFAOYSA-N
XLogP3.34
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-methylphenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613331
3-(2,5-dichlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613330
N-(4-chlorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106616029
2-(4-chlorophenoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106610766
4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609166
N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106610345
N-(4-chlorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119671239
3-(4-chlorophenyl)-1-piperidin-3-yl-1-propylurea
CID 63637628
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610422
1-(4-chlorophenyl)-3-[2-[(2S)-pyrrolidin-2-yl]ethyl]urea
CID 104972330
N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106610515
N-(4-fluorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615599

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea?
The IUPAC name of 3-(4-chlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea (CID 106613335) is 3-(4-chlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea?
The canonical SMILES for 3-(4-chlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea is CCCN(CC1CCCN1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea?
The InChIKey is HBDZHAHPWPSVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-2-10-19(11-14-4-3-9-17-14)15(20)18-13-7-5-12(16)6-8-13/h5-8,14,17H,2-4,9-11H2,1H3,(H,18,20).
What are the key properties of 3-(4-chlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea?
3-(4-chlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea has a molecular weight of 295.81 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea is sourced from PubChem (CID 106613335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).