1-(3-amino-4-methylphenyl)-3-(2,4-difluoro-6-methylphenyl)urea

C15H15F2N3O — CID 143694332

IUPAC1-(3-amino-4-methylphenyl)-3-(2,4-difluoro-6-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2c(C)cc(F)cc2F)cc1N
InChIInChI=1S/C15H15F2N3O/c1-8-3-4-11(7-13(8)18)19-15(21)20-14-9(2)5-10(16)6-12(14)17/h3-7H,18H2,1-2H3,(H2,19,20,21)
InChIKeyOOYMBHXBBUFELL-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.81
Rot. Bonds2

About 1-(3-amino-4-methylphenyl)-3-(2,4-difluoro-6-methylphenyl)urea

1-(3-amino-4-methylphenyl)-3-(2,4-difluoro-6-methylphenyl)urea (PubChem CID 143694332) has the molecular formula C15H15F2N3O and a molecular weight of 291.30 g/mol. Its IUPAC name is 1-(3-amino-4-methylphenyl)-3-(2,4-difluoro-6-methylphenyl)urea.

Molecular Properties

Compound Name1-(3-amino-4-methylphenyl)-3-(2,4-difluoro-6-methylphenyl)urea
PubChem CID143694332
Molecular FormulaC15H15F2N3O
Molecular Weight291.30 g/mol
Exact Mass291.12
IUPAC Name1-(3-amino-4-methylphenyl)-3-(2,4-difluoro-6-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2c(C)cc(F)cc2F)cc1N
InChIInChI=1S/C15H15F2N3O/c1-8-3-4-11(7-13(8)18)19-15(21)20-14-9(2)5-10(16)6-12(14)17/h3-7H,18H2,1-2H3,(H2,19,20,21)
InChIKeyOOYMBHXBBUFELL-UHFFFAOYSA-N
XLogP3.81
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.81
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-methylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652923
1-(2-amino-4,6-difluorophenyl)-3-phenylurea
CID 81311026
1-(2,4-difluoro-6-methylphenyl)-3-ethoxyurea
CID 134178081
1,3-bis(2,4,6-trifluorophenyl)urea
CID 11716736
ethyl 4-[(2,4,6-trifluorophenyl)carbamoylamino]benzoate
CID 59825425
N-(3-amino-4-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 64950847
N-(3-amino-4-methylphenyl)-5-bromo-2-fluorobenzamide
CID 24700004
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
CID 27870039
1-(4-bromo-2,6-difluorophenyl)-3-(3-chloro-4-methylphenyl)urea
CID 65499725
2-amino-N-(3-amino-4-methylphenyl)acetamide
CID 146654157
5-[(4-fluorophenyl)carbamoylamino]-2-methylbenzoic acid
CID 63653506
1-(3-amino-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 54910981

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylphenyl)-3-(2,4-difluoro-6-methylphenyl)urea?
The IUPAC name of 1-(3-amino-4-methylphenyl)-3-(2,4-difluoro-6-methylphenyl)urea (CID 143694332) is 1-(3-amino-4-methylphenyl)-3-(2,4-difluoro-6-methylphenyl)urea.
What is the SMILES notation for 1-(3-amino-4-methylphenyl)-3-(2,4-difluoro-6-methylphenyl)urea?
The canonical SMILES for 1-(3-amino-4-methylphenyl)-3-(2,4-difluoro-6-methylphenyl)urea is Cc1ccc(NC(=O)Nc2c(C)cc(F)cc2F)cc1N.
What is the InChIKey of 1-(3-amino-4-methylphenyl)-3-(2,4-difluoro-6-methylphenyl)urea?
The InChIKey is OOYMBHXBBUFELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O/c1-8-3-4-11(7-13(8)18)19-15(21)20-14-9(2)5-10(16)6-12(14)17/h3-7H,18H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(3-amino-4-methylphenyl)-3-(2,4-difluoro-6-methylphenyl)urea?
1-(3-amino-4-methylphenyl)-3-(2,4-difluoro-6-methylphenyl)urea has a molecular weight of 291.30 g/mol, XLogP of 3.81, 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-(2,4-difluoro-6-methylphenyl)urea is sourced from PubChem (CID 143694332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).