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

C14H13Cl2N3O — CID 107652923

IUPAC1-(3-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1N
InChIInChI=1S/C14H13Cl2N3O/c1-8-2-3-11(7-13(8)17)18-14(20)19-12-5-9(15)4-10(16)6-12/h2-7H,17H2,1H3,(H2,18,19,20)
InChIKeyZIZAFVANXKCAED-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.53
Rot. Bonds2

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

1-(3-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea (PubChem CID 107652923) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is 1-(3-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(3-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea
PubChem CID107652923
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name1-(3-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1N
InChIInChI=1S/C14H13Cl2N3O/c1-8-2-3-11(7-13(8)17)18-14(20)19-12-5-9(15)4-10(16)6-12/h2-7H,17H2,1H3,(H2,18,19,20)
InChIKeyZIZAFVANXKCAED-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-(3-amino-4-ethylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652978
1-(2-amino-4,5-dimethylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107653004
1-(4-amino-2,6-dimethylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107653033
1-(2-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652937
1-(3,5-dichlorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991412
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
CID 769283
1-(3-amino-4-methylphenyl)-3-(2,4-difluoro-6-methylphenyl)urea
CID 143694332
2-amino-N-(3-amino-4-methylphenyl)acetamide
CID 146654157
1-(6-amino-3-pyridinyl)-3-(3,5-dichlorophenyl)urea
CID 107654059
1-(4-aminooxy-3-chlorophenyl)-3-(3,5-dichlorophenyl)urea
CID 90211641
1-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)urea
CID 43551516
N-(3-amino-4-methylphenyl)-3,4-dichlorobenzamide
CID 24695862

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea?
The IUPAC name of 1-(3-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea (CID 107652923) is 1-(3-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea.
What is the SMILES notation for 1-(3-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea?
The canonical SMILES for 1-(3-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea is Cc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1N.
What is the InChIKey of 1-(3-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea?
The InChIKey is ZIZAFVANXKCAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c1-8-2-3-11(7-13(8)17)18-14(20)19-12-5-9(15)4-10(16)6-12/h2-7H,17H2,1H3,(H2,18,19,20).
What are the key properties of 1-(3-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea?
1-(3-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-(3-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea is sourced from PubChem (CID 107652923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).