1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea

C16H16F2N2O — CID 38949085

IUPAC1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NCc2ccc(F)cc2)cc1F
InChIInChI=1S/C16H16F2N2O/c1-11-2-3-13(8-15(11)18)10-20-16(21)19-9-12-4-6-14(17)7-5-12/h2-8H,9-10H2,1H3,(H2,19,20,21)
InChIKeyUKJIDYJGQVUFBU-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.27
Rot. Bonds4

About 1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea

1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea (PubChem CID 38949085) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
PubChem CID38949085
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NCc2ccc(F)cc2)cc1F
InChIInChI=1S/C16H16F2N2O/c1-11-2-3-13(8-15(11)18)10-20-16(21)19-9-12-4-6-14(17)7-5-12/h2-8H,9-10H2,1H3,(H2,19,20,21)
InChIKeyUKJIDYJGQVUFBU-UHFFFAOYSA-N
XLogP3.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-fluoro-4-methylphenyl)methylcarbamoylamino]-N-propan-2-ylacetamide
CID 17417817
2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 34485300
1-[(3-fluoro-4-methylphenyl)methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111487059
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936095
1-[(3-fluoro-4-methylphenyl)methyl]-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110019204
N-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide
CID 43388450
1-[(3-fluoro-4-methylphenyl)methyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111444613
N'-(2,4-difluorophenyl)-N-[(3-fluoro-4-methylphenyl)methyl]oxamide
CID 86996766
4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645330
1-[(3-fluoro-4-methylphenyl)methyl]-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 111424633
1-[(4-fluorophenyl)methyl]-3-pentylurea
CID 38154712
1-[(3-fluoro-4-methylphenyl)methyl]-3-[2-(pyridin-2-ylamino)ethyl]urea
CID 38234865

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea (CID 38949085) is 1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea is Cc1ccc(CNC(=O)NCc2ccc(F)cc2)cc1F.
What is the InChIKey of 1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea?
The InChIKey is UKJIDYJGQVUFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-11-2-3-13(8-15(11)18)10-20-16(21)19-9-12-4-6-14(17)7-5-12/h2-8H,9-10H2,1H3,(H2,19,20,21).
What are the key properties of 1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea?
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea has a molecular weight of 290.31 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 38949085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).