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

C14H12Cl2N2O — CID 44721842

IUPAC1-(2,6-dichlorophenyl)-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H12Cl2N2O/c1-9-5-2-3-8-12(9)17-14(19)18-13-10(15)6-4-7-11(13)16/h2-8H,1H3,(H2,17,18,19)
InChIKeyBNNPNSSIPJQLAH-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.95
Rot. Bonds2

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

1-(2,6-dichlorophenyl)-3-(2-methylphenyl)urea (PubChem CID 44721842) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-(2-methylphenyl)urea
PubChem CID44721842
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name1-(2,6-dichlorophenyl)-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H12Cl2N2O/c1-9-5-2-3-8-12(9)17-14(19)18-13-10(15)6-4-7-11(13)16/h2-8H,1H3,(H2,17,18,19)
InChIKeyBNNPNSSIPJQLAH-UHFFFAOYSA-N
XLogP4.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 19165606
1-(2-chloro-6-methylphenyl)-3-(2,3-dichlorophenyl)urea
CID 4526657
1-(2,3-dichlorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991413
1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 3704943
1-(2-bromophenyl)-3-(2,6-dichlorophenyl)urea
CID 108868832
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 6470856
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894172
1-[(2-chlorophenyl)methyl]-3-(2-methylphenyl)urea
CID 6468848
1-(3,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 769282
1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea
CID 1110848
1-(2-chlorophenyl)-3-(2,6-diethylphenyl)urea
CID 4994979

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-(2-methylphenyl)urea?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-(2-methylphenyl)urea (CID 44721842) is 1-(2,6-dichlorophenyl)-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-(2-methylphenyl)urea?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-(2-methylphenyl)urea?
The InChIKey is BNNPNSSIPJQLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c1-9-5-2-3-8-12(9)17-14(19)18-13-10(15)6-4-7-11(13)16/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 1-(2,6-dichlorophenyl)-3-(2-methylphenyl)urea?
1-(2,6-dichlorophenyl)-3-(2-methylphenyl)urea has a molecular weight of 295.17 g/mol, XLogP of 4.95, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-(2-methylphenyl)urea is sourced from PubChem (CID 44721842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).