1-(3,4-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea

C13H17Cl2N3O — CID 63622133

IUPAC1-(3,4-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea
SMILESO=C(NCCC1CCNC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2N3O/c14-11-2-1-10(7-12(11)15)18-13(19)17-6-4-9-3-5-16-8-9/h1-2,7,9,16H,3-6,8H2,(H2,17,18,19)
InChIKeyACXIJZDZQCDABQ-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.11
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea

1-(3,4-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea (PubChem CID 63622133) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.20 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea
PubChem CID63622133
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.20 g/mol
Exact Mass301.07
IUPAC Name1-(3,4-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea
SMILESO=C(NCCC1CCNC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2N3O/c14-11-2-1-10(7-12(11)15)18-13(19)17-6-4-9-3-5-16-8-9/h1-2,7,9,16H,3-6,8H2,(H2,17,18,19)
InChIKeyACXIJZDZQCDABQ-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-(pyrrolidin-3-ylmethyl)urea
CID 80563195
1-(2,5-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea
CID 63624344
2-pyrrolidin-3-ylethyl N-(3,4-dichlorophenyl)carbamate
CID 114796625
5-(tert-butylcarbamoylamino)-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119534483
N-(3,4-dichlorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119670897
2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119534233
2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119534551
1-(3,4-dichlorophenyl)-3-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]urea
CID 4159166
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)carbamoylamino]butyl]urea
CID 15270622
2-(3,4-dichlorophenyl)-2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 119535702
1-phenyl-3-(2-piperidin-3-ylethyl)urea
CID 60895337
1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea;hydrochloride
CID 67238951

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea (CID 63622133) is 1-(3,4-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea is O=C(NCCC1CCNC1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea?
The InChIKey is ACXIJZDZQCDABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O/c14-11-2-1-10(7-12(11)15)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-(3,4-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea?
1-(3,4-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-(3,4-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea is sourced from PubChem (CID 63622133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).