1-[(Z,2S)-4-[3-(4-fluorophenoxy)phenyl]but-3-en-2-yl]-1-hydroxyurea

C17H17FN2O3 — CID 6603738

IUPAC1-[(Z,2S)-4-[3-(4-fluorophenoxy)phenyl]but-3-en-2-yl]-1-hydroxyurea
SMILESC[C@@H](/C=C\c1cccc(Oc2ccc(F)cc2)c1)N(O)C(N)=O
InChIInChI=1S/C17H17FN2O3/c1-12(20(22)17(19)21)5-6-13-3-2-4-16(11-13)23-15-9-7-14(18)8-10-15/h2-12,22H,1H3,(H2,19,21)/b6-5-/t12-/m0/s1
InChIKeyUAIYNMRLUHHRMF-FJOGCWAESA-N
MW316.33 g/mol
LogP3.79
Rot. Bonds5

About 1-[(Z,2S)-4-[3-(4-fluorophenoxy)phenyl]but-3-en-2-yl]-1-hydroxyurea

1-[(Z,2S)-4-[3-(4-fluorophenoxy)phenyl]but-3-en-2-yl]-1-hydroxyurea (PubChem CID 6603738) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 1-[(Z,2S)-4-[3-(4-fluorophenoxy)phenyl]but-3-en-2-yl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[(Z,2S)-4-[3-(4-fluorophenoxy)phenyl]but-3-en-2-yl]-1-hydroxyurea
PubChem CID6603738
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name1-[(Z,2S)-4-[3-(4-fluorophenoxy)phenyl]but-3-en-2-yl]-1-hydroxyurea
SMILESC[C@@H](/C=C\c1cccc(Oc2ccc(F)cc2)c1)N(O)C(N)=O
InChIInChI=1S/C17H17FN2O3/c1-12(20(22)17(19)21)5-6-13-3-2-4-16(11-13)23-15-9-7-14(18)8-10-15/h2-12,22H,1H3,(H2,19,21)/b6-5-/t12-/m0/s1
InChIKeyUAIYNMRLUHHRMF-FJOGCWAESA-N
XLogP3.79
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2R)-4-[3-(4-cyanophenoxy)phenyl]but-3-en-2-yl]-1-hydroxyurea
CID 54338808
2-[carbamoyl(hydroxy)amino]-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide
CID 19761843
3-(4-fluorophenoxy)-N-propan-2-ylbenzamide
CID 12941904
1-[4-[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]but-3-en-2-yl]-1-hydroxyurea
CID 54137033
[3-(4-fluorophenoxy)phenyl]methylidenehydrazine
CID 168530002
1-hydroxy-1-[(E)-4-thiophen-3-ylbut-3-en-2-yl]urea
CID 10608595
(3-phenoxyphenyl)methyl (E)-4-(3-fluorophenyl)-2-propan-2-ylbut-3-enoate
CID 12895330
N-[(2S)-4-[3-(4-chlorophenoxy)phenyl]but-3-en-2-yl]hydroxylamine
CID 173361003
1-fluoro-4-[3-[3-[3-[3-(4-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338364
2-chloro-4-[3-(4-fluorophenoxy)phenoxy]benzamide
CID 141362722
1-[1-[5-(4-fluorophenoxy)furan-2-yl]ethyl]-1-hydroxyurea
CID 10684116
1-hydroxy-1-[(E)-4-(2-sulfanylphenyl)but-3-en-2-yl]urea
CID 143466313

Frequently Asked Questions

What is the IUPAC name of 1-[(Z,2S)-4-[3-(4-fluorophenoxy)phenyl]but-3-en-2-yl]-1-hydroxyurea?
The IUPAC name of 1-[(Z,2S)-4-[3-(4-fluorophenoxy)phenyl]but-3-en-2-yl]-1-hydroxyurea (CID 6603738) is 1-[(Z,2S)-4-[3-(4-fluorophenoxy)phenyl]but-3-en-2-yl]-1-hydroxyurea.
What is the SMILES notation for 1-[(Z,2S)-4-[3-(4-fluorophenoxy)phenyl]but-3-en-2-yl]-1-hydroxyurea?
The canonical SMILES for 1-[(Z,2S)-4-[3-(4-fluorophenoxy)phenyl]but-3-en-2-yl]-1-hydroxyurea is C[C@@H](/C=C\c1cccc(Oc2ccc(F)cc2)c1)N(O)C(N)=O.
What is the InChIKey of 1-[(Z,2S)-4-[3-(4-fluorophenoxy)phenyl]but-3-en-2-yl]-1-hydroxyurea?
The InChIKey is UAIYNMRLUHHRMF-FJOGCWAESA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-12(20(22)17(19)21)5-6-13-3-2-4-16(11-13)23-15-9-7-14(18)8-10-15/h2-12,22H,1H3,(H2,19,21)/b6-5-/t12-/m0/s1.
What are the key properties of 1-[(Z,2S)-4-[3-(4-fluorophenoxy)phenyl]but-3-en-2-yl]-1-hydroxyurea?
1-[(Z,2S)-4-[3-(4-fluorophenoxy)phenyl]but-3-en-2-yl]-1-hydroxyurea has a molecular weight of 316.33 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z,2S)-4-[3-(4-fluorophenoxy)phenyl]but-3-en-2-yl]-1-hydroxyurea is sourced from PubChem (CID 6603738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).