3-[(2,5-dimethylfuran-3-yl)methyl]-1-[(4-fluorophenyl)-phenylmethyl]-1-methylurea

C22H23FN2O2 — CID 86952615

IUPAC3-[(2,5-dimethylfuran-3-yl)methyl]-1-[(4-fluorophenyl)-phenylmethyl]-1-methylurea
SMILESCc1cc(CNC(=O)N(C)C(c2ccccc2)c2ccc(F)cc2)c(C)o1
InChIInChI=1S/C22H23FN2O2/c1-15-13-19(16(2)27-15)14-24-22(26)25(3)21(17-7-5-4-6-8-17)18-9-11-20(23)12-10-18/h4-13,21H,14H2,1-3H3,(H,24,26)
InChIKeyVQYYEIWHQOFOED-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.97
Rot. Bonds5

About 3-[(2,5-dimethylfuran-3-yl)methyl]-1-[(4-fluorophenyl)-phenylmethyl]-1-methylurea

3-[(2,5-dimethylfuran-3-yl)methyl]-1-[(4-fluorophenyl)-phenylmethyl]-1-methylurea (PubChem CID 86952615) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 3-[(2,5-dimethylfuran-3-yl)methyl]-1-[(4-fluorophenyl)-phenylmethyl]-1-methylurea.

Molecular Properties

Compound Name3-[(2,5-dimethylfuran-3-yl)methyl]-1-[(4-fluorophenyl)-phenylmethyl]-1-methylurea
PubChem CID86952615
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name3-[(2,5-dimethylfuran-3-yl)methyl]-1-[(4-fluorophenyl)-phenylmethyl]-1-methylurea
SMILESCc1cc(CNC(=O)N(C)C(c2ccccc2)c2ccc(F)cc2)c(C)o1
InChIInChI=1S/C22H23FN2O2/c1-15-13-19(16(2)27-15)14-24-22(26)25(3)21(17-7-5-4-6-8-17)18-9-11-20(23)12-10-18/h4-13,21H,14H2,1-3H3,(H,24,26)
InChIKeyVQYYEIWHQOFOED-UHFFFAOYSA-N
XLogP4.97
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dimethylfuran-3-yl)methyl]-4-methyl-3-phenylpentanamide
CID 86950294
1-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 111335746
3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[(4-fluorophenyl)-phenylmethyl]-1-methylurea
CID 86999446
1-[(4-fluorophenyl)-phenylmethyl]-1-methyl-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 78890454
1-[1-(4-fluorophenyl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-1-methylurea
CID 134006438
3-[(2,5-dimethylfuran-3-yl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea
CID 86952421
1-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-hydroxy-2-phenylbutyl)urea
CID 111450680
1-methyl-3-[(2-methylphenyl)methyl]-1-(1-phenylethyl)urea
CID 86914055
N-[(2,5-dimethylfuran-3-yl)methyl]-3-phenylprop-2-enamide
CID 71960718
(2R)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-phenoxypropanamide
CID 95368385
1-[1-(4-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
CID 51324617
1-[(2,5-dimethylfuran-3-yl)methyl]-3-[3-(N-methylanilino)propyl]urea
CID 86952276

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylfuran-3-yl)methyl]-1-[(4-fluorophenyl)-phenylmethyl]-1-methylurea?
The IUPAC name of 3-[(2,5-dimethylfuran-3-yl)methyl]-1-[(4-fluorophenyl)-phenylmethyl]-1-methylurea (CID 86952615) is 3-[(2,5-dimethylfuran-3-yl)methyl]-1-[(4-fluorophenyl)-phenylmethyl]-1-methylurea.
What is the SMILES notation for 3-[(2,5-dimethylfuran-3-yl)methyl]-1-[(4-fluorophenyl)-phenylmethyl]-1-methylurea?
The canonical SMILES for 3-[(2,5-dimethylfuran-3-yl)methyl]-1-[(4-fluorophenyl)-phenylmethyl]-1-methylurea is Cc1cc(CNC(=O)N(C)C(c2ccccc2)c2ccc(F)cc2)c(C)o1.
What is the InChIKey of 3-[(2,5-dimethylfuran-3-yl)methyl]-1-[(4-fluorophenyl)-phenylmethyl]-1-methylurea?
The InChIKey is VQYYEIWHQOFOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-15-13-19(16(2)27-15)14-24-22(26)25(3)21(17-7-5-4-6-8-17)18-9-11-20(23)12-10-18/h4-13,21H,14H2,1-3H3,(H,24,26).
What are the key properties of 3-[(2,5-dimethylfuran-3-yl)methyl]-1-[(4-fluorophenyl)-phenylmethyl]-1-methylurea?
3-[(2,5-dimethylfuran-3-yl)methyl]-1-[(4-fluorophenyl)-phenylmethyl]-1-methylurea has a molecular weight of 366.44 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylfuran-3-yl)methyl]-1-[(4-fluorophenyl)-phenylmethyl]-1-methylurea is sourced from PubChem (CID 86952615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).