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

C14H13Cl2N3O — CID 107652937

IUPAC1-(2-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)c(N)c1
InChIInChI=1S/C14H13Cl2N3O/c1-8-2-3-13(12(17)4-8)19-14(20)18-11-6-9(15)5-10(16)7-11/h2-7H,17H2,1H3,(H2,18,19,20)
InChIKeyXWJGRQWLDPYPAS-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.53
Rot. Bonds2

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

1-(2-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea (PubChem CID 107652937) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is 1-(2-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(2-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea
PubChem CID107652937
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name1-(2-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)c(N)c1
InChIInChI=1S/C14H13Cl2N3O/c1-8-2-3-13(12(17)4-8)19-14(20)18-11-6-9(15)5-10(16)7-11/h2-7H,17H2,1H3,(H2,18,19,20)
InChIKeyXWJGRQWLDPYPAS-UHFFFAOYSA-N
XLogP4.53
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.53
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-4,5-dimethylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107653004
1-(2-amino-4-methylphenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869562
1-(2-amino-4-methylphenyl)-3-(3,4-dimethylphenyl)urea
CID 108894103
N'-(2-amino-5-methylphenyl)-N-(3,5-dichlorophenyl)oxamide
CID 108531086
1-(3-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652923
N-(2-amino-4-methylphenyl)-N'-(2,4-dichlorophenyl)oxamide
CID 108502956
1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea
CID 27036650
1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 742689
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
1-(2-amino-4-methylphenyl)-3-cyclopropylurea
CID 62699288
1-(3-amino-4-ethylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652978
1-(4-amino-2,6-dimethylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107653033

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea?
The IUPAC name of 1-(2-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea (CID 107652937) is 1-(2-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea.
What is the SMILES notation for 1-(2-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea?
The canonical SMILES for 1-(2-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea is Cc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)c(N)c1.
What is the InChIKey of 1-(2-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea?
The InChIKey is XWJGRQWLDPYPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c1-8-2-3-13(12(17)4-8)19-14(20)18-11-6-9(15)5-10(16)7-11/h2-7H,17H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea?
1-(2-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea has a molecular weight of 310.18 g/mol, XLogP of 4.53, 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-methylphenyl)-3-(3,5-dichlorophenyl)urea is sourced from PubChem (CID 107652937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).