3-(4-fluorophenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea

C13H19FN2O2 — CID 111112642

IUPAC3-(4-fluorophenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea
SMILESCC(O)CN(C(=O)Nc1ccc(F)cc1)C(C)C
InChIInChI=1S/C13H19FN2O2/c1-9(2)16(8-10(3)17)13(18)15-12-6-4-11(14)5-7-12/h4-7,9-10,17H,8H2,1-3H3,(H,15,18)
InChIKeyZWPVZHBFGCBCIP-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.45
Rot. Bonds4

About 3-(4-fluorophenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea

3-(4-fluorophenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea (PubChem CID 111112642) has the molecular formula C13H19FN2O2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea
PubChem CID111112642
Molecular FormulaC13H19FN2O2
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC Name3-(4-fluorophenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea
SMILESCC(O)CN(C(=O)Nc1ccc(F)cc1)C(C)C
InChIInChI=1S/C13H19FN2O2/c1-9(2)16(8-10(3)17)13(18)15-12-6-4-11(14)5-7-12/h4-7,9-10,17H,8H2,1-3H3,(H,15,18)
InChIKeyZWPVZHBFGCBCIP-UHFFFAOYSA-N
XLogP2.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-1-[(2R)-2-hydroxypropyl]-1-methylurea
CID 27209701
1-(2-hydroxypropyl)-1-propan-2-yl-3-(4-propan-2-yloxyphenyl)urea
CID 111754632
1-(2-hydroxypropyl)-3-(4-methylsulfinylphenyl)-1-propan-2-ylurea
CID 111969781
1-(2-hydroxypropyl)-3-[4-(methylsulfanylmethyl)phenyl]-1-propan-2-ylurea
CID 111969735
1-(2-hydroxypropyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-propan-2-ylurea
CID 111969776
3-(3-fluoro-4-methylsulfinylphenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111969782
1-(2-hydroxypropyl)-1-propan-2-yl-3-[4-(triazol-1-yl)phenyl]urea
CID 111969731
3-(2-tert-butylpyrimidin-5-yl)-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111969725
2-[butan-2-yl-[(4-fluorophenyl)carbamoyl]amino]acetic acid
CID 60828601
1-(2-hydroxypropyl)-3-(4-methyl-3-nitrophenyl)-1-propan-2-ylurea
CID 111754156
3-(5-fluoro-2-piperidin-1-ylphenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111969732
3-[ethyl-[(4-fluorophenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62828090

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea?
The IUPAC name of 3-(4-fluorophenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea (CID 111112642) is 3-(4-fluorophenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea?
The canonical SMILES for 3-(4-fluorophenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea is CC(O)CN(C(=O)Nc1ccc(F)cc1)C(C)C.
What is the InChIKey of 3-(4-fluorophenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea?
The InChIKey is ZWPVZHBFGCBCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-9(2)16(8-10(3)17)13(18)15-12-6-4-11(14)5-7-12/h4-7,9-10,17H,8H2,1-3H3,(H,15,18).
What are the key properties of 3-(4-fluorophenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea?
3-(4-fluorophenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea has a molecular weight of 254.31 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea is sourced from PubChem (CID 111112642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).