1-[4-(2-fluorophenoxy)-2-pyridinyl]-3-methylurea

C13H12FN3O2 — CID 155512123

IUPAC1-[4-(2-fluorophenoxy)-2-pyridinyl]-3-methylurea
SMILESCNC(=O)Nc1cc(Oc2ccccc2F)ccn1
InChIInChI=1S/C13H12FN3O2/c1-15-13(18)17-12-8-9(6-7-16-12)19-11-5-3-2-4-10(11)14/h2-8H,1H3,(H2,15,16,17,18)
InChIKeyKCXPSRRPQGRSSN-UHFFFAOYSA-N
MW261.26 g/mol
LogP2.76
Rot. Bonds3

About 1-[4-(2-fluorophenoxy)-2-pyridinyl]-3-methylurea

1-[4-(2-fluorophenoxy)-2-pyridinyl]-3-methylurea (PubChem CID 155512123) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 1-[4-(2-fluorophenoxy)-2-pyridinyl]-3-methylurea.

Molecular Properties

Compound Name1-[4-(2-fluorophenoxy)-2-pyridinyl]-3-methylurea
PubChem CID155512123
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name1-[4-(2-fluorophenoxy)-2-pyridinyl]-3-methylurea
SMILESCNC(=O)Nc1cc(Oc2ccccc2F)ccn1
InChIInChI=1S/C13H12FN3O2/c1-15-13(18)17-12-8-9(6-7-16-12)19-11-5-3-2-4-10(11)14/h2-8H,1H3,(H2,15,16,17,18)
InChIKeyKCXPSRRPQGRSSN-UHFFFAOYSA-N
XLogP2.76
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(4-amino-2-fluorophenoxy)-2-pyridinyl]-1,1-dimethylurea
CID 23153283
[4-(2-fluorophenoxy)-2-pyridinyl]methanol
CID 61257944
N-[4-(3-fluorophenoxy)-2-pyridinyl]acetamide
CID 141205782
1-[5-bromo-4-(2,6-difluorophenoxy)-2-pyridinyl]-3-methylurea
CID 155511256
4-(2-fluorophenoxy)pyridine-2-carbonitrile
CID 62936070
4-(2-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 135965068
4-(4-amino-2-fluorophenoxy)-N-methylpyridin-2-amine
CID 67252307
N-[4-[2-fluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233803
N-[4-[2-fluoro-4-[[3-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233904
N-[[3-(2-fluorophenoxy)phenyl]methyl]-2-(methylcarbamoylamino)propanamide
CID 166322708
2-fluoro-5-(2-fluorophenoxy)benzamide
CID 175987323
N-[4-[2-chloro-4-(methylamino)phenoxy]-2-pyridinyl]acetamide
CID 129225585

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenoxy)-2-pyridinyl]-3-methylurea?
The IUPAC name of 1-[4-(2-fluorophenoxy)-2-pyridinyl]-3-methylurea (CID 155512123) is 1-[4-(2-fluorophenoxy)-2-pyridinyl]-3-methylurea.
What is the SMILES notation for 1-[4-(2-fluorophenoxy)-2-pyridinyl]-3-methylurea?
The canonical SMILES for 1-[4-(2-fluorophenoxy)-2-pyridinyl]-3-methylurea is CNC(=O)Nc1cc(Oc2ccccc2F)ccn1.
What is the InChIKey of 1-[4-(2-fluorophenoxy)-2-pyridinyl]-3-methylurea?
The InChIKey is KCXPSRRPQGRSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-15-13(18)17-12-8-9(6-7-16-12)19-11-5-3-2-4-10(11)14/h2-8H,1H3,(H2,15,16,17,18).
What are the key properties of 1-[4-(2-fluorophenoxy)-2-pyridinyl]-3-methylurea?
1-[4-(2-fluorophenoxy)-2-pyridinyl]-3-methylurea has a molecular weight of 261.26 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenoxy)-2-pyridinyl]-3-methylurea is sourced from PubChem (CID 155512123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).