1-(3-chloro-2-methylphenyl)-3-(5-chloro-2-methylphenyl)urea

C15H14Cl2N2O — CID 108991775

IUPAC1-(3-chloro-2-methylphenyl)-3-(5-chloro-2-methylphenyl)urea
SMILESCc1ccc(Cl)cc1NC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C15H14Cl2N2O/c1-9-6-7-11(16)8-14(9)19-15(20)18-13-5-3-4-12(17)10(13)2/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyIGKPCETVWMLFED-UHFFFAOYSA-N
MW309.20 g/mol
LogP5.25
Rot. Bonds2

About 1-(3-chloro-2-methylphenyl)-3-(5-chloro-2-methylphenyl)urea

1-(3-chloro-2-methylphenyl)-3-(5-chloro-2-methylphenyl)urea (PubChem CID 108991775) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-(5-chloro-2-methylphenyl)urea.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-(5-chloro-2-methylphenyl)urea
PubChem CID108991775
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name1-(3-chloro-2-methylphenyl)-3-(5-chloro-2-methylphenyl)urea
SMILESCc1ccc(Cl)cc1NC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C15H14Cl2N2O/c1-9-6-7-11(16)8-14(9)19-15(20)18-13-5-3-4-12(17)10(13)2/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyIGKPCETVWMLFED-UHFFFAOYSA-N
XLogP5.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.20
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-methylphenyl)-3-(2,5-dichlorophenyl)urea
CID 108886097
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
1-(3-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 19165606
1-N-(3-chloro-2-methylphenyl)-1-N'-(5-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982630
2-(5-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 2541105
2-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9099221
3-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038316
1-(5-chloro-2-methylphenyl)-3-(2-iodophenyl)urea
CID 108868918
1-(3-chloro-2-methylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892437
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
1-(5-chloro-2-methylphenyl)-3-(2-cyanophenyl)urea
CID 17180173
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 6470856

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(5-chloro-2-methylphenyl)urea?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(5-chloro-2-methylphenyl)urea (CID 108991775) is 1-(3-chloro-2-methylphenyl)-3-(5-chloro-2-methylphenyl)urea.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-(5-chloro-2-methylphenyl)urea?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-(5-chloro-2-methylphenyl)urea is Cc1ccc(Cl)cc1NC(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-(5-chloro-2-methylphenyl)urea?
The InChIKey is IGKPCETVWMLFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-9-6-7-11(16)8-14(9)19-15(20)18-13-5-3-4-12(17)10(13)2/h3-8H,1-2H3,(H2,18,19,20).
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-(5-chloro-2-methylphenyl)urea?
1-(3-chloro-2-methylphenyl)-3-(5-chloro-2-methylphenyl)urea has a molecular weight of 309.20 g/mol, XLogP of 5.25, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-(5-chloro-2-methylphenyl)urea is sourced from PubChem (CID 108991775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).