1-(5-fluoro-2-methylphenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea

C16H19FN2O3 — CID 111472998

IUPAC1-(5-fluoro-2-methylphenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
SMILESCc1ccc(C(C)(O)CNC(=O)Nc2cc(F)ccc2C)o1
InChIInChI=1S/C16H19FN2O3/c1-10-4-6-12(17)8-13(10)19-15(20)18-9-16(3,21)14-7-5-11(2)22-14/h4-8,21H,9H2,1-3H3,(H2,18,19,20)
InChIKeyOCNRLSWYADARHJ-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.06
Rot. Bonds4

About 1-(5-fluoro-2-methylphenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea

1-(5-fluoro-2-methylphenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea (PubChem CID 111472998) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
PubChem CID111472998
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name1-(5-fluoro-2-methylphenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
SMILESCc1ccc(C(C)(O)CNC(=O)Nc2cc(F)ccc2C)o1
InChIInChI=1S/C16H19FN2O3/c1-10-4-6-12(17)8-13(10)19-15(20)18-9-16(3,21)14-7-5-11(2)22-14/h4-8,21H,9H2,1-3H3,(H2,18,19,20)
InChIKeyOCNRLSWYADARHJ-UHFFFAOYSA-N
XLogP3.06
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-5-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111474596
1-(5-cyano-2-methylphenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111474375
1-(2-ethoxy-4-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111473863
1-(4-chloro-2-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472987
1-(5-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115584022
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3,4,5-trifluorophenyl)urea
CID 111475072
1-[4-(dimethylamino)-2-methylphenyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 167773743
1-(2-chlorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472648
1-[2-(dimethylamino)phenyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111473604
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-propan-2-yloxyphenyl)urea
CID 111473769
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-pyridin-4-ylurea
CID 111486871
2-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide
CID 111481585

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea (CID 111472998) is 1-(5-fluoro-2-methylphenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea is Cc1ccc(C(C)(O)CNC(=O)Nc2cc(F)ccc2C)o1.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea?
The InChIKey is OCNRLSWYADARHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-10-4-6-12(17)8-13(10)19-15(20)18-9-16(3,21)14-7-5-11(2)22-14/h4-8,21H,9H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-(5-fluoro-2-methylphenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea?
1-(5-fluoro-2-methylphenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea has a molecular weight of 306.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea is sourced from PubChem (CID 111472998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).