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

C17H17Cl2N3O — CID 53250297

IUPAC1-(2,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea
SMILESO=C(Nc1ccc(C2CCNC2)cc1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2N3O/c18-13-3-6-16(15(19)9-13)22-17(23)21-14-4-1-11(2-5-14)12-7-8-20-10-12/h1-6,9,12,20H,7-8,10H2,(H2,21,22,23)
InChIKeyZTEFAROQYWRPAH-UHFFFAOYSA-N
MW350.25 g/mol
LogP4.71
Rot. Bonds3

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

1-(2,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea (PubChem CID 53250297) has the molecular formula C17H17Cl2N3O and a molecular weight of 350.25 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea
PubChem CID53250297
Molecular FormulaC17H17Cl2N3O
Molecular Weight350.25 g/mol
Exact Mass349.07
IUPAC Name1-(2,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea
SMILESO=C(Nc1ccc(C2CCNC2)cc1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2N3O/c18-13-3-6-16(15(19)9-13)22-17(23)21-14-4-1-11(2-5-14)12-7-8-20-10-12/h1-6,9,12,20H,7-8,10H2,(H2,21,22,23)
InChIKeyZTEFAROQYWRPAH-UHFFFAOYSA-N
XLogP4.71
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea (CID 53250297) is 1-(2,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea is O=C(Nc1ccc(C2CCNC2)cc1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea?
The InChIKey is ZTEFAROQYWRPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O/c18-13-3-6-16(15(19)9-13)22-17(23)21-14-4-1-11(2-5-14)12-7-8-20-10-12/h1-6,9,12,20H,7-8,10H2,(H2,21,22,23).
What are the key properties of 1-(2,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea?
1-(2,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea has a molecular weight of 350.25 g/mol, XLogP of 4.71, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea is sourced from PubChem (CID 53250297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).