3-(3-chlorophenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea

C15H16ClN3O — CID 2814100

IUPAC3-(3-chlorophenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
SMILESCN(CCc1ccccn1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H16ClN3O/c1-19(10-8-13-6-2-3-9-17-13)15(20)18-14-7-4-5-12(16)11-14/h2-7,9,11H,8,10H2,1H3,(H,18,20)
InChIKeyXEJICTWMZOEWMN-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.44
Rot. Bonds4

About 3-(3-chlorophenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea

3-(3-chlorophenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea (PubChem CID 2814100) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
PubChem CID2814100
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name3-(3-chlorophenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
SMILESCN(CCc1ccccn1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H16ClN3O/c1-19(10-8-13-6-2-3-9-17-13)15(20)18-14-7-4-5-12(16)11-14/h2-7,9,11H,8,10H2,1H3,(H,18,20)
InChIKeyXEJICTWMZOEWMN-UHFFFAOYSA-N
XLogP3.44
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Forchlorfenuron
CID 93379
N-(4-Chlorophenyl)-N'-(2-pyridinyl)urea
CID 769416
1-(4-Chlorophenyl)-3-(3-pyridylmethyl)urea
CID 3676263
1-(4-Chlorophenyl)-3-(pyridin-4-yl)urea
CID 677052
1-(3,4-Dichlorophenyl)-3-(3-pyridylmethyl)urea
CID 734408
1-Phenyl-3-(pyridin-2-ylmethyl)urea
CID 853198
N-(4-Chlorophenyl)-N'-(3-pyridinyl)urea
CID 759079
1-(2-Chlorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 4426513
1-(2-Chloropyridin-3-yl)-3-(4-fluorophenyl)urea
CID 727816
1-(3-Chlorophenyl)-3-(3-methylpyridin-2-yl)urea
CID 836690
1-(3-Chloro-4-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 4143687
N-(4-Chlorophenyl)-N'-(2-pyridinylmethyl)urea
CID 853195

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 3-(3-chlorophenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea (CID 2814100) is 3-(3-chlorophenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 3-(3-chlorophenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 3-(3-chlorophenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea is CN(CCc1ccccn1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea?
The InChIKey is XEJICTWMZOEWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-19(10-8-13-6-2-3-9-17-13)15(20)18-14-7-4-5-12(16)11-14/h2-7,9,11H,8,10H2,1H3,(H,18,20).
What are the key properties of 3-(3-chlorophenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea?
3-(3-chlorophenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea has a molecular weight of 289.77 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 2814100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).