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

C14H11Cl3N2O — CID 108886097

IUPAC1-(3-chloro-2-methylphenyl)-3-(2,5-dichlorophenyl)urea
SMILESCc1c(Cl)cccc1NC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11Cl3N2O/c1-8-10(16)3-2-4-12(8)18-14(20)19-13-7-9(15)5-6-11(13)17/h2-7H,1H3,(H2,18,19,20)
InChIKeySPJANWWXJJHZBS-UHFFFAOYSA-N
MW329.61 g/mol
LogP5.60
Rot. Bonds2

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

1-(3-chloro-2-methylphenyl)-3-(2,5-dichlorophenyl)urea (PubChem CID 108886097) has the molecular formula C14H11Cl3N2O and a molecular weight of 329.61 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-(2,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-(2,5-dichlorophenyl)urea
PubChem CID108886097
Molecular FormulaC14H11Cl3N2O
Molecular Weight329.61 g/mol
Exact Mass327.99
IUPAC Name1-(3-chloro-2-methylphenyl)-3-(2,5-dichlorophenyl)urea
SMILESCc1c(Cl)cccc1NC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11Cl3N2O/c1-8-10(16)3-2-4-12(8)18-14(20)19-13-7-9(15)5-6-11(13)17/h2-7H,1H3,(H2,18,19,20)
InChIKeySPJANWWXJJHZBS-UHFFFAOYSA-N
XLogP5.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.61
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-methylphenyl)-3-(5-chloro-2-methylphenyl)urea
CID 108991775
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
2-N-(3-chloro-2-methylphenyl)-1-N-(2,5-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109143029
1-(3-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 19165606
1-(3-chloro-2-methylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892437
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
2-(5-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 2541105
methyl 2-[(2,5-dichlorophenyl)carbamoylamino]benzoate
CID 12761941
1-[2-(aminomethyl)phenyl]-3-(2,5-dichlorophenyl)urea
CID 64895840
1-(3-chloro-2-methylphenyl)-3-thiophen-2-ylurea
CID 20886019
1-(4-bromo-3-chlorophenyl)-3-(3-chloro-2-methylphenyl)urea
CID 17299431
1-N-(3-chloro-2-methylphenyl)-1-N'-(5-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982630

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(2,5-dichlorophenyl)urea?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(2,5-dichlorophenyl)urea (CID 108886097) is 1-(3-chloro-2-methylphenyl)-3-(2,5-dichlorophenyl)urea.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-(2,5-dichlorophenyl)urea?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-(2,5-dichlorophenyl)urea is Cc1c(Cl)cccc1NC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-(2,5-dichlorophenyl)urea?
The InChIKey is SPJANWWXJJHZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2O/c1-8-10(16)3-2-4-12(8)18-14(20)19-13-7-9(15)5-6-11(13)17/h2-7H,1H3,(H2,18,19,20).
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-(2,5-dichlorophenyl)urea?
1-(3-chloro-2-methylphenyl)-3-(2,5-dichlorophenyl)urea has a molecular weight of 329.61 g/mol, XLogP of 5.60, 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-(2,5-dichlorophenyl)urea is sourced from PubChem (CID 108886097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).