1-(4-fluorophenyl)-3-(2-methylpropyl)urea

C11H15FN2O — CID 17390126

IUPAC1-(4-fluorophenyl)-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H15FN2O/c1-8(2)7-13-11(15)14-10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3,(H2,13,14,15)
InChIKeyCYBUQGBJNVBSOM-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.60
Rot. Bonds3

About 1-(4-fluorophenyl)-3-(2-methylpropyl)urea

1-(4-fluorophenyl)-3-(2-methylpropyl)urea (PubChem CID 17390126) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-methylpropyl)urea
PubChem CID17390126
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name1-(4-fluorophenyl)-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C11H15FN2O/c1-8(2)7-13-11(15)14-10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3,(H2,13,14,15)
InChIKeyCYBUQGBJNVBSOM-UHFFFAOYSA-N
XLogP2.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-hydroxyphenyl)-3-(2-methylpropyl)urea
CID 22947333
1-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)urea
CID 62665920
4-(2-methylpropylcarbamoylamino)benzoic acid
CID 39732866
N-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47200661
2-[4-(2-methylpropylcarbamoylamino)phenyl]acetic acid
CID 61188287
2-(4-fluoroanilino)-N-(2-methylpropylcarbamoyl)acetamide
CID 26506069
N-ethyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47238365
1-[4-[[4-(carbamoylamino)phenyl]methyl]phenyl]-3-(2-methylpropyl)urea
CID 177002479
2-methyl-2-[4-(2-methylpropylcarbamoylamino)phenyl]propanoic acid
CID 80555855
1-(4-fluorophenyl)-3-[(2R)-2-(furan-2-yl)-2-methoxyethyl]urea
CID 99876552
1-(4-fluorophenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 90496696
2-[[amino-(2-methylpropylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111089284

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2-methylpropyl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-methylpropyl)urea (CID 17390126) is 1-(4-fluorophenyl)-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-methylpropyl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-methylpropyl)urea is CC(C)CNC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-methylpropyl)urea?
The InChIKey is CYBUQGBJNVBSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-8(2)7-13-11(15)14-10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-(4-fluorophenyl)-3-(2-methylpropyl)urea?
1-(4-fluorophenyl)-3-(2-methylpropyl)urea has a molecular weight of 210.25 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-methylpropyl)urea is sourced from PubChem (CID 17390126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).