1-(furan-2-ylmethyl)-3-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]urea

C15H15F3N2O3 — CID 124596181

IUPAC1-(furan-2-ylmethyl)-3-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc([C@@H](NC(=O)NCc2ccco2)C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O3/c1-22-11-6-4-10(5-7-11)13(15(16,17)18)20-14(21)19-9-12-3-2-8-23-12/h2-8,13H,9H2,1H3,(H2,19,20,21)/t13-/m1/s1
InChIKeyFMSWZANHLQUMPZ-CYBMUJFWSA-N
MW328.29 g/mol
LogP3.39
Rot. Bonds5

About 1-(furan-2-ylmethyl)-3-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]urea

1-(furan-2-ylmethyl)-3-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]urea (PubChem CID 124596181) has the molecular formula C15H15F3N2O3 and a molecular weight of 328.29 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]urea
PubChem CID124596181
Molecular FormulaC15H15F3N2O3
Molecular Weight328.29 g/mol
Exact Mass328.10
IUPAC Name1-(furan-2-ylmethyl)-3-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc([C@@H](NC(=O)NCc2ccco2)C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O3/c1-22-11-6-4-10(5-7-11)13(15(16,17)18)20-14(21)19-9-12-3-2-8-23-12/h2-8,13H,9H2,1H3,(H2,19,20,21)/t13-/m1/s1
InChIKeyFMSWZANHLQUMPZ-CYBMUJFWSA-N
XLogP3.39
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-ylmethyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea
CID 97185684
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(furan-2-ylmethyl)urea
CID 134056891
N-(furan-2-ylmethyl)-N'-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]oxamide
CID 124878229
(3S)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-methylpentanamide
CID 7082801
1-(furan-2-ylmethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea
CID 51082774
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 110348304
methyl 2-(furan-2-ylmethylcarbamoylamino)propanoate
CID 4265713
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2-oxoacetamide
CID 94272659
ethane;1-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-3-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]urea
CID 171787255
N-(furan-2-ylmethyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 133255406
2-(furan-2-ylmethylcarbamoylamino)propanoic acid
CID 4273789

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]urea (CID 124596181) is 1-(furan-2-ylmethyl)-3-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]urea is COc1ccc([C@@H](NC(=O)NCc2ccco2)C(F)(F)F)cc1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]urea?
The InChIKey is FMSWZANHLQUMPZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15F3N2O3/c1-22-11-6-4-10(5-7-11)13(15(16,17)18)20-14(21)19-9-12-3-2-8-23-12/h2-8,13H,9H2,1H3,(H2,19,20,21)/t13-/m1/s1.
What are the key properties of 1-(furan-2-ylmethyl)-3-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]urea?
1-(furan-2-ylmethyl)-3-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]urea has a molecular weight of 328.29 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 124596181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).