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

C22H22FN3O3 — CID 60610815

IUPAC3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-[(3-methoxyphenyl)methyl]-1-methylurea
SMILESCOc1cccc(CN(C)C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)c1
InChIInChI=1S/C22H22FN3O3/c1-26(15-16-5-3-7-19(11-16)28-2)22(27)25-14-17-9-10-21(24-13-17)29-20-8-4-6-18(23)12-20/h3-13H,14-15H2,1-2H3,(H,25,27)
InChIKeyZSROVLJMIJBLRC-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.36
Rot. Bonds7

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

3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-[(3-methoxyphenyl)methyl]-1-methylurea (PubChem CID 60610815) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-[(3-methoxyphenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-[(3-methoxyphenyl)methyl]-1-methylurea
PubChem CID60610815
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-[(3-methoxyphenyl)methyl]-1-methylurea
SMILESCOc1cccc(CN(C)C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)c1
InChIInChI=1S/C22H22FN3O3/c1-26(15-16-5-3-7-19(11-16)28-2)22(27)25-14-17-9-10-21(24-13-17)29-20-8-4-6-18(23)12-20/h3-13H,14-15H2,1-2H3,(H,25,27)
InChIKeyZSROVLJMIJBLRC-UHFFFAOYSA-N
XLogP4.36
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methylurea
CID 60610844
1,1-diethyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]urea
CID 60610934
1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-[(3-methoxyphenyl)methyl]-2-methylguanidine
CID 111249543
1-[(5-chlorothiophen-2-yl)methyl]-3-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-methylurea
CID 55797663
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
1-[(2,4-dimethoxyphenyl)methyl]-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 111878221
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-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(4-phenylbutan-2-yl)urea
CID 60610599
1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(2-thiophen-2-ylethyl)urea
CID 60610907

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-[(3-methoxyphenyl)methyl]-1-methylurea?
The IUPAC name of 3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-[(3-methoxyphenyl)methyl]-1-methylurea (CID 60610815) is 3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-[(3-methoxyphenyl)methyl]-1-methylurea.
What is the SMILES notation for 3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-[(3-methoxyphenyl)methyl]-1-methylurea?
The canonical SMILES for 3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-[(3-methoxyphenyl)methyl]-1-methylurea is COc1cccc(CN(C)C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)c1.
What is the InChIKey of 3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-[(3-methoxyphenyl)methyl]-1-methylurea?
The InChIKey is ZSROVLJMIJBLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-26(15-16-5-3-7-19(11-16)28-2)22(27)25-14-17-9-10-21(24-13-17)29-20-8-4-6-18(23)12-20/h3-13H,14-15H2,1-2H3,(H,25,27).
What are the key properties of 3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-[(3-methoxyphenyl)methyl]-1-methylurea?
3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-[(3-methoxyphenyl)methyl]-1-methylurea has a molecular weight of 395.43 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-[(3-methoxyphenyl)methyl]-1-methylurea is sourced from PubChem (CID 60610815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).