3-(2,5-dichlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea

C15H21Cl2N3O — CID 106613330

IUPAC3-(2,5-dichlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea
SMILESCCCN(CC1CCCN1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H21Cl2N3O/c1-2-8-20(10-12-4-3-7-18-12)15(21)19-14-9-11(16)5-6-13(14)17/h5-6,9,12,18H,2-4,7-8,10H2,1H3,(H,19,21)
InChIKeyNAIKOGGKQBKADP-UHFFFAOYSA-N
MW330.26 g/mol
LogP3.99
Rot. Bonds5

About 3-(2,5-dichlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea

3-(2,5-dichlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea (PubChem CID 106613330) has the molecular formula C15H21Cl2N3O and a molecular weight of 330.26 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea
PubChem CID106613330
Molecular FormulaC15H21Cl2N3O
Molecular Weight330.26 g/mol
Exact Mass329.11
IUPAC Name3-(2,5-dichlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea
SMILESCCCN(CC1CCCN1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H21Cl2N3O/c1-2-8-20(10-12-4-3-7-18-12)15(21)19-14-9-11(16)5-6-13(14)17/h5-6,9,12,18H,2-4,7-8,10H2,1H3,(H,19,21)
InChIKeyNAIKOGGKQBKADP-UHFFFAOYSA-N
XLogP3.99
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613335
3-(3-chloro-4-methylphenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613331
1-butyl-3-(2,5-dichlorophenyl)-1-propylurea
CID 108886146
N-butyl-2,4-dichloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611844
pyrrolidin-2-ylmethyl N-(2,5-dichlorophenyl)carbamate
CID 79338111
3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625495
3-(2,4-dichlorophenyl)-1,1-dipropylurea
CID 3499106
2-(4-chlorophenoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106610766
N-(4-chlorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106616029
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 42977412
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610422
4-bromo-3-chloro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610449

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea?
The IUPAC name of 3-(2,5-dichlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea (CID 106613330) is 3-(2,5-dichlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea?
The canonical SMILES for 3-(2,5-dichlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea is CCCN(CC1CCCN1)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 3-(2,5-dichlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea?
The InChIKey is NAIKOGGKQBKADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O/c1-2-8-20(10-12-4-3-7-18-12)15(21)19-14-9-11(16)5-6-13(14)17/h5-6,9,12,18H,2-4,7-8,10H2,1H3,(H,19,21).
What are the key properties of 3-(2,5-dichlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea?
3-(2,5-dichlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea has a molecular weight of 330.26 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea is sourced from PubChem (CID 106613330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).