1-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea

C21H19Cl2N3O — CID 67053167

IUPAC1-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
SMILESCc1cc(-c2ccc(NC(=O)NCCc3ccc(Cl)cc3Cl)cc2)ccn1
InChIInChI=1S/C21H19Cl2N3O/c1-14-12-17(9-10-24-14)15-3-6-19(7-4-15)26-21(27)25-11-8-16-2-5-18(22)13-20(16)23/h2-7,9-10,12-13H,8,11H2,1H3,(H2,25,26,27)
InChIKeyNCIHSTIFKOOCLN-UHFFFAOYSA-N
MW400.31 g/mol
LogP5.73
Rot. Bonds5

About 1-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea

1-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea (PubChem CID 67053167) has the molecular formula C21H19Cl2N3O and a molecular weight of 400.31 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
PubChem CID67053167
Molecular FormulaC21H19Cl2N3O
Molecular Weight400.31 g/mol
Exact Mass399.09
IUPAC Name1-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
SMILESCc1cc(-c2ccc(NC(=O)NCCc3ccc(Cl)cc3Cl)cc2)ccn1
InChIInChI=1S/C21H19Cl2N3O/c1-14-12-17(9-10-24-14)15-3-6-19(7-4-15)26-21(27)25-11-8-16-2-5-18(22)13-20(16)23/h2-7,9-10,12-13H,8,11H2,1H3,(H2,25,26,27)
InChIKeyNCIHSTIFKOOCLN-UHFFFAOYSA-N
XLogP5.73
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.31
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2,4-dichlorophenyl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053166
1-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methoxyphenyl)urea
CID 108991031
1-[4-(2-methyl-4-pyridinyl)phenyl]-3-(2-quinolin-6-ylethyl)urea
CID 67053039
N-[3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108991040
1-(2-ethylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053153
1-(1,3-benzodioxol-5-yl)-3-[2-(2,4-dichlorophenyl)ethyl]urea
CID 110372008
3-(4-acetamidoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide
CID 109033424
1-(4-chlorophenyl)-3-(2-methyl-4-pyridinyl)urea
CID 110755160
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
1-(5-chloro-2,4-dimethoxyphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053113
2-(2-chloro-5-fluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
CID 67308080
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylacetamide
CID 67308361

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea (CID 67053167) is 1-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea is Cc1cc(-c2ccc(NC(=O)NCCc3ccc(Cl)cc3Cl)cc2)ccn1.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea?
The InChIKey is NCIHSTIFKOOCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O/c1-14-12-17(9-10-24-14)15-3-6-19(7-4-15)26-21(27)25-11-8-16-2-5-18(22)13-20(16)23/h2-7,9-10,12-13H,8,11H2,1H3,(H2,25,26,27).
What are the key properties of 1-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea?
1-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea has a molecular weight of 400.31 g/mol, XLogP of 5.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea is sourced from PubChem (CID 67053167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).