3-[(3-fluorophenyl)methyl]-1-[(2-methoxy-3-pyridinyl)methyl]-1-methylurea

C16H18FN3O2 — CID 53185039

IUPAC3-[(3-fluorophenyl)methyl]-1-[(2-methoxy-3-pyridinyl)methyl]-1-methylurea
SMILESCOc1ncccc1CN(C)C(=O)NCc1cccc(F)c1
InChIInChI=1S/C16H18FN3O2/c1-20(11-13-6-4-8-18-15(13)22-2)16(21)19-10-12-5-3-7-14(17)9-12/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeyRHECLOJQNVICFV-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.57
Rot. Bonds5

About 3-[(3-fluorophenyl)methyl]-1-[(2-methoxy-3-pyridinyl)methyl]-1-methylurea

3-[(3-fluorophenyl)methyl]-1-[(2-methoxy-3-pyridinyl)methyl]-1-methylurea (PubChem CID 53185039) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-1-[(2-methoxy-3-pyridinyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-1-[(2-methoxy-3-pyridinyl)methyl]-1-methylurea
PubChem CID53185039
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name3-[(3-fluorophenyl)methyl]-1-[(2-methoxy-3-pyridinyl)methyl]-1-methylurea
SMILESCOc1ncccc1CN(C)C(=O)NCc1cccc(F)c1
InChIInChI=1S/C16H18FN3O2/c1-20(11-13-6-4-8-18-15(13)22-2)16(21)19-10-12-5-3-7-14(17)9-12/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeyRHECLOJQNVICFV-UHFFFAOYSA-N
XLogP2.57
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluorophenyl)methyl]-1-methyl-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea
CID 35671432
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CID 53184961
1-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-3-propylurea
CID 53185034
3-[(2-ethoxy-4-pyridinyl)methyl]-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 78889802
1-[(2-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea
CID 38148280
1-[(3-fluorophenyl)methyl]-1-methyl-3-[(2-methylphenyl)methyl]urea
CID 86916303
N-[(3-fluorophenyl)methyl]-2-methoxypyridin-3-amine
CID 43721741
3-[(3-methoxyphenyl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea
CID 86999385
3-(2,3-dihydro-1H-inden-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 78891504
3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-[(3-methoxyphenyl)methyl]-1-methylurea
CID 60610815
3-[(3-fluorophenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 55007271
4-[(3-fluorophenyl)methylcarbamoyl-methylamino]butanoic acid
CID 43329847

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-1-[(2-methoxy-3-pyridinyl)methyl]-1-methylurea?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-1-[(2-methoxy-3-pyridinyl)methyl]-1-methylurea (CID 53185039) is 3-[(3-fluorophenyl)methyl]-1-[(2-methoxy-3-pyridinyl)methyl]-1-methylurea.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-1-[(2-methoxy-3-pyridinyl)methyl]-1-methylurea?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-1-[(2-methoxy-3-pyridinyl)methyl]-1-methylurea is COc1ncccc1CN(C)C(=O)NCc1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-1-[(2-methoxy-3-pyridinyl)methyl]-1-methylurea?
The InChIKey is RHECLOJQNVICFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-20(11-13-6-4-8-18-15(13)22-2)16(21)19-10-12-5-3-7-14(17)9-12/h3-9H,10-11H2,1-2H3,(H,19,21).
What are the key properties of 3-[(3-fluorophenyl)methyl]-1-[(2-methoxy-3-pyridinyl)methyl]-1-methylurea?
3-[(3-fluorophenyl)methyl]-1-[(2-methoxy-3-pyridinyl)methyl]-1-methylurea has a molecular weight of 303.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-1-[(2-methoxy-3-pyridinyl)methyl]-1-methylurea is sourced from PubChem (CID 53185039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).