1-benzyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methylurea

C21H20FN3O2 — CID 60610844

IUPAC1-benzyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methylurea
SMILESCN(Cc1ccccc1)C(=O)NCc1ccc(Oc2cccc(F)c2)nc1
InChIInChI=1S/C21H20FN3O2/c1-25(15-16-6-3-2-4-7-16)21(26)24-14-17-10-11-20(23-13-17)27-19-9-5-8-18(22)12-19/h2-13H,14-15H2,1H3,(H,24,26)
InChIKeyHQQQESZSNVTRTR-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.35
Rot. Bonds6

About 1-benzyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methylurea

1-benzyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methylurea (PubChem CID 60610844) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-benzyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methylurea.

Molecular Properties

Compound Name1-benzyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methylurea
PubChem CID60610844
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name1-benzyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methylurea
SMILESCN(Cc1ccccc1)C(=O)NCc1ccc(Oc2cccc(F)c2)nc1
InChIInChI=1S/C21H20FN3O2/c1-25(15-16-6-3-2-4-7-16)21(26)24-14-17-10-11-20(23-13-17)27-19-9-5-8-18(22)12-19/h2-13H,14-15H2,1H3,(H,24,26)
InChIKeyHQQQESZSNVTRTR-UHFFFAOYSA-N
XLogP4.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-[(3-methoxyphenyl)methyl]-1-methylurea
CID 60610815
1,1-diethyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]urea
CID 60610934
1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(4-phenylbutan-2-yl)urea
CID 60610599
1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine
CID 111875939
(2S)-2-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methylpentanamide
CID 119870375
3-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride
CID 119870364
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
CID 60610905
4-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 119870371
1-[(5-chlorothiophen-2-yl)methyl]-3-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-methylurea
CID 55797663
1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-3-(2-phenoxyethyl)guanidine
CID 111005503
1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-[(3-methoxyphenyl)methyl]-2-methylguanidine
CID 111249543
1-[2-[[6-(3-fluorophenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549762

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methylurea?
The IUPAC name of 1-benzyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methylurea (CID 60610844) is 1-benzyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methylurea.
What is the SMILES notation for 1-benzyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methylurea?
The canonical SMILES for 1-benzyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methylurea is CN(Cc1ccccc1)C(=O)NCc1ccc(Oc2cccc(F)c2)nc1.
What is the InChIKey of 1-benzyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methylurea?
The InChIKey is HQQQESZSNVTRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-25(15-16-6-3-2-4-7-16)21(26)24-14-17-10-11-20(23-13-17)27-19-9-5-8-18(22)12-19/h2-13H,14-15H2,1H3,(H,24,26).
What are the key properties of 1-benzyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methylurea?
1-benzyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methylurea has a molecular weight of 365.41 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methylurea is sourced from PubChem (CID 60610844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).