1-(4-amino-2,6-dimethylphenyl)-3-(3,5-dichlorophenyl)urea

C15H15Cl2N3O — CID 107653033

IUPAC1-(4-amino-2,6-dimethylphenyl)-3-(3,5-dichlorophenyl)urea
SMILESCc1cc(N)cc(C)c1NC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H15Cl2N3O/c1-8-3-12(18)4-9(2)14(8)20-15(21)19-13-6-10(16)5-11(17)7-13/h3-7H,18H2,1-2H3,(H2,19,20,21)
InChIKeySHNFYVQLNOUSGM-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.84
Rot. Bonds2

About 1-(4-amino-2,6-dimethylphenyl)-3-(3,5-dichlorophenyl)urea

1-(4-amino-2,6-dimethylphenyl)-3-(3,5-dichlorophenyl)urea (PubChem CID 107653033) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 1-(4-amino-2,6-dimethylphenyl)-3-(3,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(4-amino-2,6-dimethylphenyl)-3-(3,5-dichlorophenyl)urea
PubChem CID107653033
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name1-(4-amino-2,6-dimethylphenyl)-3-(3,5-dichlorophenyl)urea
SMILESCc1cc(N)cc(C)c1NC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H15Cl2N3O/c1-8-3-12(18)4-9(2)14(8)20-15(21)19-13-6-10(16)5-11(17)7-13/h3-7H,18H2,1-2H3,(H2,19,20,21)
InChIKeySHNFYVQLNOUSGM-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-(3,5-dichlorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991412
1-(3-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652923
1-(2-amino-4,5-dimethylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107653004
1-(2-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652937
1-(3,5-dichlorophenyl)-3-(4-hydroxy-2,5-dimethylphenyl)urea
CID 107653706
1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)carbamoylamino]-2,4,6-trimethylphenyl]urea
CID 4085959
1-(3-amino-4-ethylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652978
1-(3,5-dibromophenyl)-3-(3,5-dichlorophenyl)urea
CID 175721758
1-(3-bromo-5-chlorophenyl)-3-(3,5-dichlorophenyl)urea
CID 172725439
1-(3-chloro-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea
CID 175721828
1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869520
N-(4-chloro-2,6-dimethylphenyl)acetamide;ethane
CID 156737682

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,6-dimethylphenyl)-3-(3,5-dichlorophenyl)urea?
The IUPAC name of 1-(4-amino-2,6-dimethylphenyl)-3-(3,5-dichlorophenyl)urea (CID 107653033) is 1-(4-amino-2,6-dimethylphenyl)-3-(3,5-dichlorophenyl)urea.
What is the SMILES notation for 1-(4-amino-2,6-dimethylphenyl)-3-(3,5-dichlorophenyl)urea?
The canonical SMILES for 1-(4-amino-2,6-dimethylphenyl)-3-(3,5-dichlorophenyl)urea is Cc1cc(N)cc(C)c1NC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(4-amino-2,6-dimethylphenyl)-3-(3,5-dichlorophenyl)urea?
The InChIKey is SHNFYVQLNOUSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-8-3-12(18)4-9(2)14(8)20-15(21)19-13-6-10(16)5-11(17)7-13/h3-7H,18H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(4-amino-2,6-dimethylphenyl)-3-(3,5-dichlorophenyl)urea?
1-(4-amino-2,6-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-(4-amino-2,6-dimethylphenyl)-3-(3,5-dichlorophenyl)urea is sourced from PubChem (CID 107653033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).