3-(3-chloro-4-methylphenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea

C16H24ClN3O — CID 106613331

IUPAC3-(3-chloro-4-methylphenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea
SMILESCCCN(CC1CCCN1)C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C16H24ClN3O/c1-3-9-20(11-14-5-4-8-18-14)16(21)19-13-7-6-12(2)15(17)10-13/h6-7,10,14,18H,3-5,8-9,11H2,1-2H3,(H,19,21)
InChIKeyHLHXCAPUOXPVFO-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.64
Rot. Bonds5

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

3-(3-chloro-4-methylphenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea (PubChem CID 106613331) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea
PubChem CID106613331
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name3-(3-chloro-4-methylphenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea
SMILESCCCN(CC1CCCN1)C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C16H24ClN3O/c1-3-9-20(11-14-5-4-8-18-14)16(21)19-13-7-6-12(2)15(17)10-13/h6-7,10,14,18H,3-5,8-9,11H2,1-2H3,(H,19,21)
InChIKeyHLHXCAPUOXPVFO-UHFFFAOYSA-N
XLogP3.64
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(3-chloro-4-methylphenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea 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

3-(4-chlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613335
3-(2,5-dichlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613330
1-(3-chloro-4-methylphenyl)-3-(2-pyrrolidin-2-ylethyl)urea
CID 114794048
1-(3-amino-2,2-dimethylpropyl)-3-(3-chloro-4-methylphenyl)-1-propylurea
CID 79663881
2-chloro-4-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106862424
4-bromo-3-chloro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610449
3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625495
N-(4-chlorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106616029
N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106610345
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610518
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610422
3-(3-chloro-4-methylphenyl)-1-ethyl-1-(3-hydroxypropyl)urea
CID 115662904

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea (CID 106613331) is 3-(3-chloro-4-methylphenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea is CCCN(CC1CCCN1)C(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea?
The InChIKey is HLHXCAPUOXPVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-3-9-20(11-14-5-4-8-18-14)16(21)19-13-7-6-12(2)15(17)10-13/h6-7,10,14,18H,3-5,8-9,11H2,1-2H3,(H,19,21).
What are the key properties of 3-(3-chloro-4-methylphenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea?
3-(3-chloro-4-methylphenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea has a molecular weight of 309.84 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea is sourced from PubChem (CID 106613331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).