1-(2-amino-4,5-dimethylphenyl)-3-(3,5-dichlorophenyl)urea

C15H15Cl2N3O — CID 107653004

IUPAC1-(2-amino-4,5-dimethylphenyl)-3-(3,5-dichlorophenyl)urea
SMILESCc1cc(N)c(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1C
InChIInChI=1S/C15H15Cl2N3O/c1-8-3-13(18)14(4-9(8)2)20-15(21)19-12-6-10(16)5-11(17)7-12/h3-7H,18H2,1-2H3,(H2,19,20,21)
InChIKeyAQPWCCVSVPZRJG-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.84
Rot. Bonds2

About 1-(2-amino-4,5-dimethylphenyl)-3-(3,5-dichlorophenyl)urea

1-(2-amino-4,5-dimethylphenyl)-3-(3,5-dichlorophenyl)urea (PubChem CID 107653004) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 1-(2-amino-4,5-dimethylphenyl)-3-(3,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(2-amino-4,5-dimethylphenyl)-3-(3,5-dichlorophenyl)urea
PubChem CID107653004
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name1-(2-amino-4,5-dimethylphenyl)-3-(3,5-dichlorophenyl)urea
SMILESCc1cc(N)c(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1C
InChIInChI=1S/C15H15Cl2N3O/c1-8-3-13(18)14(4-9(8)2)20-15(21)19-12-6-10(16)5-11(17)7-12/h3-7H,18H2,1-2H3,(H2,19,20,21)
InChIKeyAQPWCCVSVPZRJG-UHFFFAOYSA-N
XLogP4.84
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652937
1-(3-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652923
1-(3,5-dichlorophenyl)-3-(4-hydroxy-2,5-dimethylphenyl)urea
CID 107653706
1-(4-amino-2,6-dimethylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107653033
1-(3,5-dichlorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991412
1-(3-amino-4-ethylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652978
N'-(2-amino-5-methylphenyl)-N-(3,5-dichlorophenyl)oxamide
CID 108531086
1-(3,5-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991481
N-(2-amino-4,5-dimethylphenyl)propanamide
CID 28691521
4-[(3,5-dichlorophenyl)carbamoylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 107653108
1-(3,5-dibromophenyl)-3-(3,5-dichlorophenyl)urea
CID 175721758
1-(3-bromo-5-chlorophenyl)-3-(3,5-dichlorophenyl)urea
CID 172725439

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4,5-dimethylphenyl)-3-(3,5-dichlorophenyl)urea?
The IUPAC name of 1-(2-amino-4,5-dimethylphenyl)-3-(3,5-dichlorophenyl)urea (CID 107653004) is 1-(2-amino-4,5-dimethylphenyl)-3-(3,5-dichlorophenyl)urea.
What is the SMILES notation for 1-(2-amino-4,5-dimethylphenyl)-3-(3,5-dichlorophenyl)urea?
The canonical SMILES for 1-(2-amino-4,5-dimethylphenyl)-3-(3,5-dichlorophenyl)urea is Cc1cc(N)c(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1C.
What is the InChIKey of 1-(2-amino-4,5-dimethylphenyl)-3-(3,5-dichlorophenyl)urea?
The InChIKey is AQPWCCVSVPZRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-8-3-13(18)14(4-9(8)2)20-15(21)19-12-6-10(16)5-11(17)7-12/h3-7H,18H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(2-amino-4,5-dimethylphenyl)-3-(3,5-dichlorophenyl)urea?
1-(2-amino-4,5-dimethylphenyl)-3-(3,5-dichlorophenyl)urea has a molecular weight of 324.21 g/mol, XLogP of 4.84, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4,5-dimethylphenyl)-3-(3,5-dichlorophenyl)urea is sourced from PubChem (CID 107653004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).