1-(2-chloro-6-methylphenyl)-3-(3,4-dichlorophenyl)urea

C14H11Cl3N2O — CID 4224094

IUPAC1-(2-chloro-6-methylphenyl)-3-(3,4-dichlorophenyl)urea
SMILESCc1cccc(Cl)c1NC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl3N2O/c1-8-3-2-4-11(16)13(8)19-14(20)18-9-5-6-10(15)12(17)7-9/h2-7H,1H3,(H2,18,19,20)
InChIKeyFDHUOIRYWIWJAM-UHFFFAOYSA-N
MW329.61 g/mol
LogP5.60
Rot. Bonds2

About 1-(2-chloro-6-methylphenyl)-3-(3,4-dichlorophenyl)urea

1-(2-chloro-6-methylphenyl)-3-(3,4-dichlorophenyl)urea (PubChem CID 4224094) has the molecular formula C14H11Cl3N2O and a molecular weight of 329.61 g/mol. Its IUPAC name is 1-(2-chloro-6-methylphenyl)-3-(3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(2-chloro-6-methylphenyl)-3-(3,4-dichlorophenyl)urea
PubChem CID4224094
Molecular FormulaC14H11Cl3N2O
Molecular Weight329.61 g/mol
Exact Mass327.99
IUPAC Name1-(2-chloro-6-methylphenyl)-3-(3,4-dichlorophenyl)urea
SMILESCc1cccc(Cl)c1NC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl3N2O/c1-8-3-2-4-11(16)13(8)19-14(20)18-9-5-6-10(15)12(17)7-9/h2-7H,1H3,(H2,18,19,20)
InChIKeyFDHUOIRYWIWJAM-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

Analyze 1-(2-chloro-6-methylphenyl)-3-(3,4-dichlorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 769282
1-(2-chloro-6-methylphenyl)-3-(2,3-dichlorophenyl)urea
CID 4526657
1-(3-chloro-4-methylphenyl)-3-(2,6-difluorophenyl)urea
CID 108991867
1-(3,5-dichlorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991412
N'-(2,6-dichlorophenyl)-N-(3,4-dichlorophenyl)propanediamide
CID 108956848
1-(3,4-dichlorophenyl)-3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]urea
CID 17379527
N-[4-[(2-chloro-6-fluorophenyl)carbamoylamino]phenyl]acetamide
CID 108896360
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)urea
CID 727838
1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea
CID 639709
1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788304
1-(2-chloro-4,6-dimethylphenyl)-3-(3-methylphenyl)urea
CID 108888004
1-(3,4-dichlorophenyl)-3-[(2,3-dimethylphenoxy)methyl]urea
CID 108878230

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methylphenyl)-3-(3,4-dichlorophenyl)urea?
The IUPAC name of 1-(2-chloro-6-methylphenyl)-3-(3,4-dichlorophenyl)urea (CID 4224094) is 1-(2-chloro-6-methylphenyl)-3-(3,4-dichlorophenyl)urea.
What is the SMILES notation for 1-(2-chloro-6-methylphenyl)-3-(3,4-dichlorophenyl)urea?
The canonical SMILES for 1-(2-chloro-6-methylphenyl)-3-(3,4-dichlorophenyl)urea is Cc1cccc(Cl)c1NC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-6-methylphenyl)-3-(3,4-dichlorophenyl)urea?
The InChIKey is FDHUOIRYWIWJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2O/c1-8-3-2-4-11(16)13(8)19-14(20)18-9-5-6-10(15)12(17)7-9/h2-7H,1H3,(H2,18,19,20).
What are the key properties of 1-(2-chloro-6-methylphenyl)-3-(3,4-dichlorophenyl)urea?
1-(2-chloro-6-methylphenyl)-3-(3,4-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-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 4224094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).