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

C17H21FN2O2 — CID 60597967

IUPAC1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea
SMILESCc1cc(C(C)NC(=O)NCCc2ccccc2F)c(C)o1
InChIInChI=1S/C17H21FN2O2/c1-11-10-15(13(3)22-11)12(2)20-17(21)19-9-8-14-6-4-5-7-16(14)18/h4-7,10,12H,8-9H2,1-3H3,(H2,19,20,21)
InChIKeyMGGODIDPSXTCRF-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.64
Rot. Bonds5

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

1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea (PubChem CID 60597967) has the molecular formula C17H21FN2O2 and a molecular weight of 304.36 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea
PubChem CID60597967
Molecular FormulaC17H21FN2O2
Molecular Weight304.36 g/mol
Exact Mass304.16
IUPAC Name1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea
SMILESCc1cc(C(C)NC(=O)NCCc2ccccc2F)c(C)o1
InChIInChI=1S/C17H21FN2O2/c1-11-10-15(13(3)22-11)12(2)20-17(21)19-9-8-14-6-4-5-7-16(14)18/h4-7,10,12H,8-9H2,1-3H3,(H2,19,20,21)
InChIKeyMGGODIDPSXTCRF-UHFFFAOYSA-N
XLogP3.64
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86880953
2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 3657012
1-[2-(2-fluorophenyl)ethyl]-3-pentan-3-ylurea
CID 108888420
N-ethyl-2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanamide
CID 42928317
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110908567
2-[2-(2-fluorophenyl)ethylcarbamoylamino]-4-methylpentanoic acid
CID 4222728
1-benzhydryl-3-[2-(2-fluorophenyl)ethyl]urea
CID 41304292
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-hydroxy-2-phenylbutyl)urea
CID 111454908
1-[(2-fluorophenyl)methyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 51274243
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 60927070
1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 111119522
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea?
The IUPAC name of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea (CID 60597967) is 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea is Cc1cc(C(C)NC(=O)NCCc2ccccc2F)c(C)o1.
What is the InChIKey of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea?
The InChIKey is MGGODIDPSXTCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-11-10-15(13(3)22-11)12(2)20-17(21)19-9-8-14-6-4-5-7-16(14)18/h4-7,10,12H,8-9H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea?
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea has a molecular weight of 304.36 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]urea is sourced from PubChem (CID 60597967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).