1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea

C16H18FN3O4 — CID 94031147

IUPAC1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea
SMILESCOc1ncccc1NC(=O)NC[C@H](O)COc1cccc(F)c1
InChIInChI=1S/C16H18FN3O4/c1-23-15-14(6-3-7-18-15)20-16(22)19-9-12(21)10-24-13-5-2-4-11(17)8-13/h2-8,12,21H,9-10H2,1H3,(H2,19,20,22)/t12-/m0/s1
InChIKeyJSLGAFICYGOLHE-LBPRGKRZSA-N
MW335.34 g/mol
LogP1.79
Rot. Bonds7

About 1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea

1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea (PubChem CID 94031147) has the molecular formula C16H18FN3O4 and a molecular weight of 335.34 g/mol. Its IUPAC name is 1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea
PubChem CID94031147
Molecular FormulaC16H18FN3O4
Molecular Weight335.34 g/mol
Exact Mass335.13
IUPAC Name1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea
SMILESCOc1ncccc1NC(=O)NC[C@H](O)COc1cccc(F)c1
InChIInChI=1S/C16H18FN3O4/c1-23-15-14(6-3-7-18-15)20-16(22)19-9-12(21)10-24-13-5-2-4-11(17)8-13/h2-8,12,21H,9-10H2,1H3,(H2,19,20,22)/t12-/m0/s1
InChIKeyJSLGAFICYGOLHE-LBPRGKRZSA-N
XLogP1.79
TPSA92.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea
CID 47042582
1-(2,5-difluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110931993
1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 94029464
3-fluoro-N-(2-methoxy-3-pyridinyl)benzamide
CID 47038518
1-(4-fluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110904652
1-(2,3-dimethylphenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110907958
N-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)acetamide
CID 94654317
1-(2-methoxy-3-pyridinyl)-3-prop-2-ynylurea
CID 47042553
1-(2-methoxyethyl)-3-(2-methoxy-3-pyridinyl)urea
CID 47223034
N-[3-(3-fluorophenoxy)-2-hydroxypropyl]-2,3-dimethylbenzamide
CID 51089018
4-[[3-(3-fluorophenoxy)-2-hydroxypropyl]amino]-1H-1,8-naphthyridin-2-one
CID 154877303
1-(2,5-dimethylphenyl)-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]urea
CID 110903857

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea?
The IUPAC name of 1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea (CID 94031147) is 1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea.
What is the SMILES notation for 1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea?
The canonical SMILES for 1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea is COc1ncccc1NC(=O)NC[C@H](O)COc1cccc(F)c1.
What is the InChIKey of 1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea?
The InChIKey is JSLGAFICYGOLHE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18FN3O4/c1-23-15-14(6-3-7-18-15)20-16(22)19-9-12(21)10-24-13-5-2-4-11(17)8-13/h2-8,12,21H,9-10H2,1H3,(H2,19,20,22)/t12-/m0/s1.
What are the key properties of 1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea?
1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea has a molecular weight of 335.34 g/mol, XLogP of 1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea is sourced from PubChem (CID 94031147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).