1-[(2R)-2-(4-fluorophenyl)-2-hydroxypropyl]-3-[(1R)-1-(furan-2-yl)ethyl]urea

C16H19FN2O3 — CID 97245826

IUPAC1-[(2R)-2-(4-fluorophenyl)-2-hydroxypropyl]-3-[(1R)-1-(furan-2-yl)ethyl]urea
SMILESC[C@@H](NC(=O)NC[C@](C)(O)c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C16H19FN2O3/c1-11(14-4-3-9-22-14)19-15(20)18-10-16(2,21)12-5-7-13(17)8-6-12/h3-9,11,21H,10H2,1-2H3,(H2,18,19,20)/t11-,16+/m1/s1
InChIKeyMRAXMHMTVDXJHS-BZNIZROVSA-N
MW306.34 g/mol
LogP2.69
Rot. Bonds5

About 1-[(2R)-2-(4-fluorophenyl)-2-hydroxypropyl]-3-[(1R)-1-(furan-2-yl)ethyl]urea

1-[(2R)-2-(4-fluorophenyl)-2-hydroxypropyl]-3-[(1R)-1-(furan-2-yl)ethyl]urea (PubChem CID 97245826) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is 1-[(2R)-2-(4-fluorophenyl)-2-hydroxypropyl]-3-[(1R)-1-(furan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(4-fluorophenyl)-2-hydroxypropyl]-3-[(1R)-1-(furan-2-yl)ethyl]urea
PubChem CID97245826
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name1-[(2R)-2-(4-fluorophenyl)-2-hydroxypropyl]-3-[(1R)-1-(furan-2-yl)ethyl]urea
SMILESC[C@@H](NC(=O)NC[C@](C)(O)c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C16H19FN2O3/c1-11(14-4-3-9-22-14)19-15(20)18-10-16(2,21)12-5-7-13(17)8-6-12/h3-9,11,21H,10H2,1-2H3,(H2,18,19,20)/t11-,16+/m1/s1
InChIKeyMRAXMHMTVDXJHS-BZNIZROVSA-N
XLogP2.69
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(furan-2-yl)ethylcarbamoylamino]-2,2-dimethylpropanoic acid
CID 115428423
1-[1-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335690
1-[1-(furan-2-yl)ethyl]-3-propylurea
CID 110748894
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1-phenylethyl)urea
CID 111478738
N-[1-(furan-2-yl)ethyl]-3-hydroxy-3-phenylbutanamide
CID 110024356
1-(4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 121086010
1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]urea
CID 97051341
1-butyl-3-[1-(furan-2-yl)ethyl]urea
CID 47113388
1-[(2S)-3,3-dimethylbutan-2-yl]-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea
CID 95934768
1-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 121086013
1-[1-(4-chlorophenyl)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111478745
2,2-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 103515903

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-fluorophenyl)-2-hydroxypropyl]-3-[(1R)-1-(furan-2-yl)ethyl]urea?
The IUPAC name of 1-[(2R)-2-(4-fluorophenyl)-2-hydroxypropyl]-3-[(1R)-1-(furan-2-yl)ethyl]urea (CID 97245826) is 1-[(2R)-2-(4-fluorophenyl)-2-hydroxypropyl]-3-[(1R)-1-(furan-2-yl)ethyl]urea.
What is the SMILES notation for 1-[(2R)-2-(4-fluorophenyl)-2-hydroxypropyl]-3-[(1R)-1-(furan-2-yl)ethyl]urea?
The canonical SMILES for 1-[(2R)-2-(4-fluorophenyl)-2-hydroxypropyl]-3-[(1R)-1-(furan-2-yl)ethyl]urea is C[C@@H](NC(=O)NC[C@](C)(O)c1ccc(F)cc1)c1ccco1.
What is the InChIKey of 1-[(2R)-2-(4-fluorophenyl)-2-hydroxypropyl]-3-[(1R)-1-(furan-2-yl)ethyl]urea?
The InChIKey is MRAXMHMTVDXJHS-BZNIZROVSA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-11(14-4-3-9-22-14)19-15(20)18-10-16(2,21)12-5-7-13(17)8-6-12/h3-9,11,21H,10H2,1-2H3,(H2,18,19,20)/t11-,16+/m1/s1.
What are the key properties of 1-[(2R)-2-(4-fluorophenyl)-2-hydroxypropyl]-3-[(1R)-1-(furan-2-yl)ethyl]urea?
1-[(2R)-2-(4-fluorophenyl)-2-hydroxypropyl]-3-[(1R)-1-(furan-2-yl)ethyl]urea has a molecular weight of 306.34 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-fluorophenyl)-2-hydroxypropyl]-3-[(1R)-1-(furan-2-yl)ethyl]urea is sourced from PubChem (CID 97245826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).