1-[(3-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)urea

C17H19FN2O — CID 3444082

IUPAC1-[(3-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)urea
SMILESCC(C)c1ccc(NC(=O)NCc2cccc(F)c2)cc1
InChIInChI=1S/C17H19FN2O/c1-12(2)14-6-8-16(9-7-14)20-17(21)19-11-13-4-3-5-15(18)10-13/h3-10,12H,11H2,1-2H3,(H2,19,20,21)
InChIKeyMQFCEXDIVYKPAD-UHFFFAOYSA-N
MW286.35 g/mol
LogP4.27
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)urea

1-[(3-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)urea (PubChem CID 3444082) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)urea
PubChem CID3444082
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name1-[(3-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)urea
SMILESCC(C)c1ccc(NC(=O)NCc2cccc(F)c2)cc1
InChIInChI=1S/C17H19FN2O/c1-12(2)14-6-8-16(9-7-14)20-17(21)19-11-13-4-3-5-15(18)10-13/h3-10,12H,11H2,1-2H3,(H2,19,20,21)
InChIKeyMQFCEXDIVYKPAD-UHFFFAOYSA-N
XLogP4.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 47192342
1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
CID 47172104
1-[(3-fluorophenyl)methyl]-3-(4-nitrophenyl)urea
CID 108898480
1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 108898468
1-(3-fluorophenyl)-3-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]urea
CID 94801333
1-[(3-fluorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 47192931
1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea
CID 172617530
1-benzyl-3-[4-(4-propan-2-ylphenyl)sulfonylphenyl]urea
CID 155612864
1-[(3-fluorophenyl)methyl]-3-(2-hydroxypropyl)urea
CID 117235352
1-[(4-bromophenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 108899366
1-[(3-fluorophenyl)methyl]-3-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108872736
1-[4-(1-aminoethyl)phenyl]-3-[(3-bromophenyl)methyl]urea
CID 61414360

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)urea (CID 3444082) is 1-[(3-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)urea is CC(C)c1ccc(NC(=O)NCc2cccc(F)c2)cc1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)urea?
The InChIKey is MQFCEXDIVYKPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12(2)14-6-8-16(9-7-14)20-17(21)19-11-13-4-3-5-15(18)10-13/h3-10,12H,11H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)urea?
1-[(3-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)urea has a molecular weight of 286.35 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 3444082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).