1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea

C17H21FN2O3 — CID 110908567

IUPAC1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
SMILESCc1cc(C(C)NC(=O)NCC(O)c2ccc(F)cc2)c(C)o1
InChIInChI=1S/C17H21FN2O3/c1-10-8-15(12(3)23-10)11(2)20-17(22)19-9-16(21)13-4-6-14(18)7-5-13/h4-8,11,16,21H,9H2,1-3H3,(H2,19,20,22)
InChIKeyXXNVKZCOGCPGRM-UHFFFAOYSA-N
MW320.36 g/mol
LogP3.13
Rot. Bonds5

About 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea

1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea (PubChem CID 110908567) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
PubChem CID110908567
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
SMILESCc1cc(C(C)NC(=O)NCC(O)c2ccc(F)cc2)c(C)o1
InChIInChI=1S/C17H21FN2O3/c1-10-8-15(12(3)23-10)11(2)20-17(22)19-9-16(21)13-4-6-14(18)7-5-13/h4-8,11,16,21H,9H2,1-3H3,(H2,19,20,22)
InChIKeyXXNVKZCOGCPGRM-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]-2-hydroxypropanoic acid
CID 107839410
1-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea
CID 111505380
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(1-phenylethyl)urea
CID 110893367
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methylbutan-2-yl)urea
CID 110893315
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-hydroxy-2-phenylbutyl)urea
CID 111454908
3-[[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]methyl]pentanoic acid
CID 81066841
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 60597967
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43121349
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111505375
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea
CID 110911377
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111121109
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(3-methylphenyl)methyl]urea
CID 110893364

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea?
The IUPAC name of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea (CID 110908567) is 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea is Cc1cc(C(C)NC(=O)NCC(O)c2ccc(F)cc2)c(C)o1.
What is the InChIKey of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea?
The InChIKey is XXNVKZCOGCPGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-10-8-15(12(3)23-10)11(2)20-17(22)19-9-16(21)13-4-6-14(18)7-5-13/h4-8,11,16,21H,9H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea?
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea has a molecular weight of 320.36 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea is sourced from PubChem (CID 110908567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).