1-(2,5-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea

C13H17Cl2N3O — CID 63624344

IUPAC1-(2,5-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea
SMILESO=C(NCCC1CCNC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2N3O/c14-10-1-2-11(15)12(7-10)18-13(19)17-6-4-9-3-5-16-8-9/h1-2,7,9,16H,3-6,8H2,(H2,17,18,19)
InChIKeyIGUIIKCVPVUJLU-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.11
Rot. Bonds4

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

1-(2,5-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea (PubChem CID 63624344) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.20 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea
PubChem CID63624344
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.20 g/mol
Exact Mass301.07
IUPAC Name1-(2,5-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea
SMILESO=C(NCCC1CCNC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2N3O/c14-10-1-2-11(15)12(7-10)18-13(19)17-6-4-9-3-5-16-8-9/h1-2,7,9,16H,3-6,8H2,(H2,17,18,19)
InChIKeyIGUIIKCVPVUJLU-UHFFFAOYSA-N
XLogP3.11
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea
CID 63622133
1-(2-chlorophenyl)-3-(2-piperidin-3-ylethyl)urea
CID 63628893
4-chloro-2-(2-pyrrolidin-3-ylethylamino)benzamide
CID 63623817
3,6-dichloro-N-(2-pyrrolidin-3-ylethyl)-1-benzothiophene-2-carboxamide
CID 119537076
1-(2-fluorophenyl)-3-(2-piperidin-3-ylethyl)urea
CID 60895338
4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63630238
2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119534233
3-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119534078
2-chloro-4,5-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536489
2-(4-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63624340
5-(tert-butylcarbamoylamino)-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119534483
2-(5-chloro-2-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119533390

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea (CID 63624344) is 1-(2,5-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea is O=C(NCCC1CCNC1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea?
The InChIKey is IGUIIKCVPVUJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O/c14-10-1-2-11(15)12(7-10)18-13(19)17-6-4-9-3-5-16-8-9/h1-2,7,9,16H,3-6,8H2,(H2,17,18,19).
What are the key properties of 1-(2,5-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea?
1-(2,5-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea has a molecular weight of 302.20 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea is sourced from PubChem (CID 63624344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).