1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea

C15H15FN2O — CID 6467653

IUPAC1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2cc(C)ccc2F)c1
InChIInChI=1S/C15H15FN2O/c1-10-4-3-5-12(8-10)17-15(19)18-14-9-11(2)6-7-13(14)16/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyGJZNWOXNXRVCJP-UHFFFAOYSA-N
MW258.30 g/mol
LogP4.09
Rot. Bonds2

About 1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea

1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea (PubChem CID 6467653) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea
PubChem CID6467653
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2cc(C)ccc2F)c1
InChIInChI=1S/C15H15FN2O/c1-10-4-3-5-12(8-10)17-15(19)18-14-9-11(2)6-7-13(14)16/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyGJZNWOXNXRVCJP-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

1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 742689
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
1-(3-chloro-4-methylphenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 51046150
1-(3-bromophenyl)-3-(2-fluoro-4-methylphenyl)urea
CID 46859946
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774
1-(2-fluoro-5-methylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61346848
1-[3-(aminomethyl)-4-fluorophenyl]-3-(3-methylphenyl)urea
CID 62316078
1-(3-bromophenyl)-3-(2,5-difluorophenyl)urea
CID 3468982
1-(2-fluoro-5-methylphenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 46859836
1-(3-acetylphenyl)-3-(5-bromo-2-fluorophenyl)urea
CID 61345864
1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
CID 1239967
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea (CID 6467653) is 1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2cc(C)ccc2F)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea?
The InChIKey is GJZNWOXNXRVCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-10-4-3-5-12(8-10)17-15(19)18-14-9-11(2)6-7-13(14)16/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea?
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)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-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea is sourced from PubChem (CID 6467653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).