1-(2-fluorophenyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea

C16H17FN2O2 — CID 47071658

IUPAC1-(2-fluorophenyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea
SMILESCC(Cc1ccc(O)cc1)NC(=O)Nc1ccccc1F
InChIInChI=1S/C16H17FN2O2/c1-11(10-12-6-8-13(20)9-7-12)18-16(21)19-15-5-3-2-4-14(15)17/h2-9,11,20H,10H2,1H3,(H2,18,19,21)
InChIKeyBSOYVIWJWPNIFN-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.28
Rot. Bonds4

About 1-(2-fluorophenyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea

1-(2-fluorophenyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea (PubChem CID 47071658) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea
PubChem CID47071658
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name1-(2-fluorophenyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea
SMILESCC(Cc1ccc(O)cc1)NC(=O)Nc1ccccc1F
InChIInChI=1S/C16H17FN2O2/c1-11(10-12-6-8-13(20)9-7-12)18-16(21)19-15-5-3-2-4-14(15)17/h2-9,11,20H,10H2,1H3,(H2,18,19,21)
InChIKeyBSOYVIWJWPNIFN-UHFFFAOYSA-N
XLogP3.28
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea (CID 47071658) is 1-(2-fluorophenyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea is CC(Cc1ccc(O)cc1)NC(=O)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea?
The InChIKey is BSOYVIWJWPNIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-11(10-12-6-8-13(20)9-7-12)18-16(21)19-15-5-3-2-4-14(15)17/h2-9,11,20H,10H2,1H3,(H2,18,19,21).
What are the key properties of 1-(2-fluorophenyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea?
1-(2-fluorophenyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea has a molecular weight of 288.32 g/mol, XLogP of 3.28, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea is sourced from PubChem (CID 47071658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).