1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]urea

C17H21FN2O3 — CID 97051341

IUPAC1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]urea
SMILESCc1ccc([C@@H](C)NC(=O)NC[C@](C)(O)c2ccco2)cc1F
InChIInChI=1S/C17H21FN2O3/c1-11-6-7-13(9-14(11)18)12(2)20-16(21)19-10-17(3,22)15-5-4-8-23-15/h4-9,12,22H,10H2,1-3H3,(H2,19,20,21)/t12-,17+/m1/s1
InChIKeyLXJXIKKXEUKINA-PXAZEXFGSA-N
MW320.36 g/mol
LogP3.00
Rot. Bonds5

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

1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]urea (PubChem CID 97051341) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]urea
PubChem CID97051341
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]urea
SMILESCc1ccc([C@@H](C)NC(=O)NC[C@](C)(O)c2ccco2)cc1F
InChIInChI=1S/C17H21FN2O3/c1-11-6-7-13(9-14(11)18)12(2)20-16(21)19-10-17(3,22)15-5-4-8-23-15/h4-9,12,22H,10H2,1-3H3,(H2,19,20,21)/t12-,17+/m1/s1
InChIKeyLXJXIKKXEUKINA-PXAZEXFGSA-N
XLogP3.00
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]urea with MolForge

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Related Compounds

1-[1-(4-chlorophenyl)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111478745
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1-phenylethyl)urea
CID 111478738
1-[(2S)-3,3-dimethylbutan-2-yl]-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea
CID 95934768
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)urea
CID 110007216
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111481658
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(4-methylphenyl)propyl]urea
CID 111504031
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(2-methylpropoxy)propan-2-yl]urea
CID 111480769
1-[(2R)-2-(4-fluorophenyl)-2-hydroxypropyl]-3-[(1R)-1-(furan-2-yl)ethyl]urea
CID 97245826
1-(4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 121086010
1-ethyl-2-[(3-fluoro-4-methylphenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
CID 111671926
1-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 121086013

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]urea?
The IUPAC name of 1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]urea (CID 97051341) is 1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]urea.
What is the SMILES notation for 1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]urea?
The canonical SMILES for 1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]urea is Cc1ccc([C@@H](C)NC(=O)NC[C@](C)(O)c2ccco2)cc1F.
What is the InChIKey of 1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]urea?
The InChIKey is LXJXIKKXEUKINA-PXAZEXFGSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-11-6-7-13(9-14(11)18)12(2)20-16(21)19-10-17(3,22)15-5-4-8-23-15/h4-9,12,22H,10H2,1-3H3,(H2,19,20,21)/t12-,17+/m1/s1.
What are the key properties of 1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]urea?
1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]urea has a molecular weight of 320.36 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]urea is sourced from PubChem (CID 97051341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).