1-(2-chloro-6-methylphenyl)-3-(2,3-dichlorophenyl)urea

C14H11Cl3N2O — CID 4526657

IUPAC1-(2-chloro-6-methylphenyl)-3-(2,3-dichlorophenyl)urea
SMILESCc1cccc(Cl)c1NC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C14H11Cl3N2O/c1-8-4-2-6-10(16)13(8)19-14(20)18-11-7-3-5-9(15)12(11)17/h2-7H,1H3,(H2,18,19,20)
InChIKeyLSQAMMGXFGPJQJ-UHFFFAOYSA-N
MW329.61 g/mol
LogP5.60
Rot. Bonds2

About 1-(2-chloro-6-methylphenyl)-3-(2,3-dichlorophenyl)urea

1-(2-chloro-6-methylphenyl)-3-(2,3-dichlorophenyl)urea (PubChem CID 4526657) has the molecular formula C14H11Cl3N2O and a molecular weight of 329.61 g/mol. Its IUPAC name is 1-(2-chloro-6-methylphenyl)-3-(2,3-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(2-chloro-6-methylphenyl)-3-(2,3-dichlorophenyl)urea
PubChem CID4526657
Molecular FormulaC14H11Cl3N2O
Molecular Weight329.61 g/mol
Exact Mass327.99
IUPAC Name1-(2-chloro-6-methylphenyl)-3-(2,3-dichlorophenyl)urea
SMILESCc1cccc(Cl)c1NC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C14H11Cl3N2O/c1-8-4-2-6-10(16)13(8)19-14(20)18-11-7-3-5-9(15)12(11)17/h2-7H,1H3,(H2,18,19,20)
InChIKeyLSQAMMGXFGPJQJ-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-(2,3-dichlorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991413
1-(2,6-dichlorophenyl)-3-(2-methylphenyl)urea
CID 44721842
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 3704943
1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991483
1-(2-chloro-6-methylphenyl)-3-(3,4-dichlorophenyl)urea
CID 4224094
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
1-(3-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 19165606
2-(2,3-dichloroanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 54815902
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334
1-(2,3-dichlorophenyl)-3-prop-2-ynylurea
CID 97180602
(2S)-2-[[2-[(2-chloro-6-methylphenyl)carbamoylamino]benzoyl]amino]butanedioic acid
CID 58994847

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methylphenyl)-3-(2,3-dichlorophenyl)urea?
The IUPAC name of 1-(2-chloro-6-methylphenyl)-3-(2,3-dichlorophenyl)urea (CID 4526657) is 1-(2-chloro-6-methylphenyl)-3-(2,3-dichlorophenyl)urea.
What is the SMILES notation for 1-(2-chloro-6-methylphenyl)-3-(2,3-dichlorophenyl)urea?
The canonical SMILES for 1-(2-chloro-6-methylphenyl)-3-(2,3-dichlorophenyl)urea is Cc1cccc(Cl)c1NC(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2-chloro-6-methylphenyl)-3-(2,3-dichlorophenyl)urea?
The InChIKey is LSQAMMGXFGPJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2O/c1-8-4-2-6-10(16)13(8)19-14(20)18-11-7-3-5-9(15)12(11)17/h2-7H,1H3,(H2,18,19,20).
What are the key properties of 1-(2-chloro-6-methylphenyl)-3-(2,3-dichlorophenyl)urea?
1-(2-chloro-6-methylphenyl)-3-(2,3-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-(2-chloro-6-methylphenyl)-3-(2,3-dichlorophenyl)urea is sourced from PubChem (CID 4526657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).