1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea

C15H15FN2O — CID 27870039

IUPAC1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(F)cc2)cc1C
InChIInChI=1S/C15H15FN2O/c1-10-3-6-14(9-11(10)2)18-15(19)17-13-7-4-12(16)5-8-13/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyXACJZNYVAASZGC-UHFFFAOYSA-N
MW258.30 g/mol
LogP4.09
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea

1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea (PubChem CID 27870039) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
PubChem CID27870039
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(F)cc2)cc1C
InChIInChI=1S/C15H15FN2O/c1-10-3-6-14(9-11(10)2)18-15(19)17-13-7-4-12(16)5-8-13/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyXACJZNYVAASZGC-UHFFFAOYSA-N
XLogP4.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-[(4-fluorophenyl)carbamoylamino]-2-methylbenzoic acid
CID 63653506
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
CID 769283
1-(2-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)urea
CID 46859753
1-[4-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)urea
CID 5096263
1-(3,5-dihydroxyphenyl)-3-(3,4-dimethylphenyl)urea
CID 108895471
1-(3,4-dimethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61346481
1-(5-chloro-2-fluorophenyl)-3-(3,4-dimethylphenyl)urea
CID 46859781
1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea
CID 2985670
N-(3,4-dimethylphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211904
N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methylamino]propanamide
CID 109021226
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea
CID 19165586

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea (CID 27870039) is 1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea is Cc1ccc(NC(=O)Nc2ccc(F)cc2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea?
The InChIKey is XACJZNYVAASZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-10-3-6-14(9-11(10)2)18-15(19)17-13-7-4-12(16)5-8-13/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea?
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea has a molecular weight of 258.30 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea is sourced from PubChem (CID 27870039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).