1-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea

C16H19FN2O3 — CID 90605292

IUPAC1-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea
SMILESCC(O)(CNC(=O)NCc1ccc(F)cc1)Cc1ccco1
InChIInChI=1S/C16H19FN2O3/c1-16(21,9-14-3-2-8-22-14)11-19-15(20)18-10-12-4-6-13(17)7-5-12/h2-8,21H,9-11H2,1H3,(H2,18,19,20)
InChIKeyRUKBMUDROGJFNT-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.21
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea

1-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea (PubChem CID 90605292) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea
PubChem CID90605292
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea
SMILESCC(O)(CNC(=O)NCc1ccc(F)cc1)Cc1ccco1
InChIInChI=1S/C16H19FN2O3/c1-16(21,9-14-3-2-8-22-14)11-19-15(20)18-10-12-4-6-13(17)7-5-12/h2-8,21H,9-11H2,1H3,(H2,18,19,20)
InChIKeyRUKBMUDROGJFNT-UHFFFAOYSA-N
XLogP2.21
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 121086013
N'-(4-fluorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
CID 90605203
4-(4-fluorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxane-4-carboxamide
CID 90605098
N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
CID 90605256
1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-4-methoxy-2-methylbutyl)urea
CID 134161141
1-(furan-2-ylmethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 111437101
1-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-thiophen-2-ylurea
CID 99872776
1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea
CID 17399631
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3,5-dimethylbenzamide
CID 90604979
phenyl N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamate
CID 90604967
N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N-prop-2-enyloxamide
CID 90605187
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2,2-diphenylacetamide
CID 90605067

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea (CID 90605292) is 1-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea is CC(O)(CNC(=O)NCc1ccc(F)cc1)Cc1ccco1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea?
The InChIKey is RUKBMUDROGJFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-16(21,9-14-3-2-8-22-14)11-19-15(20)18-10-12-4-6-13(17)7-5-12/h2-8,21H,9-11H2,1H3,(H2,18,19,20).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea?
1-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea has a molecular weight of 306.34 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea is sourced from PubChem (CID 90605292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).