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

C15H16FN3O — CID 104757285

IUPAC1-(5-amino-2,4-dimethylphenyl)-3-(3-fluorophenyl)urea
SMILESCc1cc(C)c(NC(=O)Nc2cccc(F)c2)cc1N
InChIInChI=1S/C15H16FN3O/c1-9-6-10(2)14(8-13(9)17)19-15(20)18-12-5-3-4-11(16)7-12/h3-8H,17H2,1-2H3,(H2,18,19,20)
InChIKeyHFLZKSQBZDRFHG-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.67
Rot. Bonds2

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

1-(5-amino-2,4-dimethylphenyl)-3-(3-fluorophenyl)urea (PubChem CID 104757285) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-(5-amino-2,4-dimethylphenyl)-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-(5-amino-2,4-dimethylphenyl)-3-(3-fluorophenyl)urea
PubChem CID104757285
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name1-(5-amino-2,4-dimethylphenyl)-3-(3-fluorophenyl)urea
SMILESCc1cc(C)c(NC(=O)Nc2cccc(F)c2)cc1N
InChIInChI=1S/C15H16FN3O/c1-9-6-10(2)14(8-13(9)17)19-15(20)18-12-5-3-4-11(16)7-12/h3-8H,17H2,1-2H3,(H2,18,19,20)
InChIKeyHFLZKSQBZDRFHG-UHFFFAOYSA-N
XLogP3.67
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.67
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-(4-bromo-2-methylphenyl)-3-(3-fluorophenyl)urea
CID 54911411
N-(5-amino-2,4-dimethylphenyl)-3-fluorobenzamide
CID 104757128
N-(5-amino-2,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide
CID 104757005
3-[(3-fluorophenyl)carbamoylamino]-4-methylbenzoic acid
CID 6467536
1-(5-amino-2-bromo-4-methylphenyl)-3-(3-methylphenyl)urea
CID 104814730
1-(3-amino-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 54910981
1-[4-(diethylamino)-2-methylphenyl]-3-(3-fluorophenyl)urea
CID 108894002
4-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzamide
CID 156854097
N-(5-amino-2,4-dimethylphenyl)-2-fluoro-3-methylbenzamide
CID 104756953
1-(2-amino-5-fluorophenyl)-3-(3-methoxyphenyl)urea
CID 63256964
1-(4-bromo-2-ethylphenyl)-3-(3-fluorophenyl)urea
CID 81290117
methyl 5-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzoate
CID 134104777

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2,4-dimethylphenyl)-3-(3-fluorophenyl)urea?
The IUPAC name of 1-(5-amino-2,4-dimethylphenyl)-3-(3-fluorophenyl)urea (CID 104757285) is 1-(5-amino-2,4-dimethylphenyl)-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-(5-amino-2,4-dimethylphenyl)-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-(5-amino-2,4-dimethylphenyl)-3-(3-fluorophenyl)urea is Cc1cc(C)c(NC(=O)Nc2cccc(F)c2)cc1N.
What is the InChIKey of 1-(5-amino-2,4-dimethylphenyl)-3-(3-fluorophenyl)urea?
The InChIKey is HFLZKSQBZDRFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-9-6-10(2)14(8-13(9)17)19-15(20)18-12-5-3-4-11(16)7-12/h3-8H,17H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(5-amino-2,4-dimethylphenyl)-3-(3-fluorophenyl)urea?
1-(5-amino-2,4-dimethylphenyl)-3-(3-fluorophenyl)urea has a molecular weight of 273.31 g/mol, XLogP of 3.67, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2,4-dimethylphenyl)-3-(3-fluorophenyl)urea is sourced from PubChem (CID 104757285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).