1-cyclohexyl-3-[3-(4-fluoro-3-phenoxyphenyl)prop-2-enyl]-1-hydroxyurea

C22H25FN2O3 — CID 88682157

IUPAC1-cyclohexyl-3-[3-(4-fluoro-3-phenoxyphenyl)prop-2-enyl]-1-hydroxyurea
SMILESO=C(NCC=Cc1ccc(F)c(Oc2ccccc2)c1)N(O)C1CCCCC1
InChIInChI=1S/C22H25FN2O3/c23-20-14-13-17(16-21(20)28-19-11-5-2-6-12-19)8-7-15-24-22(26)25(27)18-9-3-1-4-10-18/h2,5-8,11-14,16,18,27H,1,3-4,9-10,15H2,(H,24,26)
InChIKeyXBBVIIDPZQZIRP-UHFFFAOYSA-N
MW384.45 g/mol
LogP5.36
Rot. Bonds6

About 1-cyclohexyl-3-[3-(4-fluoro-3-phenoxyphenyl)prop-2-enyl]-1-hydroxyurea

1-cyclohexyl-3-[3-(4-fluoro-3-phenoxyphenyl)prop-2-enyl]-1-hydroxyurea (PubChem CID 88682157) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-[3-(4-fluoro-3-phenoxyphenyl)prop-2-enyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-cyclohexyl-3-[3-(4-fluoro-3-phenoxyphenyl)prop-2-enyl]-1-hydroxyurea
PubChem CID88682157
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name1-cyclohexyl-3-[3-(4-fluoro-3-phenoxyphenyl)prop-2-enyl]-1-hydroxyurea
SMILESO=C(NCC=Cc1ccc(F)c(Oc2ccccc2)c1)N(O)C1CCCCC1
InChIInChI=1S/C22H25FN2O3/c23-20-14-13-17(16-21(20)28-19-11-5-2-6-12-19)8-7-15-24-22(26)25(27)18-9-3-1-4-10-18/h2,5-8,11-14,16,18,27H,1,3-4,9-10,15H2,(H,24,26)
InChIKeyXBBVIIDPZQZIRP-UHFFFAOYSA-N
XLogP5.36
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.45
LogP ≤ 55.36
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

BW B70C
CID 5353454
Fenleuton
CID 72059
Cgs 24891
CID 195771
N-hydroxy-N-[1-methyl-3-(3-phenoxyphenyl)prop-2-ynyl]urea
CID 10637675
N-hydroxy-N-[3-(3-phenoxyphenyl)prop-2-ynyl]urea
CID 10684287
N-hydroxy-N''-methyl-N-[(6-phenoxy-2H-chromen-3-yl)methyl]urea
CID 14971286
N''-ethyl-N-hydroxy-N-[(6-phenoxy-2H-chromen-3-yl)methyl]urea
CID 14971287
N-hydroxy-N''-isopropyl-N-[(6-phenoxy-2H-chromen-3-yl)methyl]urea
CID 14971289
N-hydroxy-N-[(6-phenoxy-2H-chromen-3-yl)methyl]-N''-butylurea
CID 14971290
N''-allyl-N-hydroxy-N-[(6-phenoxy-2H-chromen-3-yl)methyl]urea
CID 14971294
1-Hydroxy-1-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]urea
CID 19894247
(4R)-1-[3-(4-fluorophenoxy)benzyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide
CID 44272911

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[3-(4-fluoro-3-phenoxyphenyl)prop-2-enyl]-1-hydroxyurea?
The IUPAC name of 1-cyclohexyl-3-[3-(4-fluoro-3-phenoxyphenyl)prop-2-enyl]-1-hydroxyurea (CID 88682157) is 1-cyclohexyl-3-[3-(4-fluoro-3-phenoxyphenyl)prop-2-enyl]-1-hydroxyurea.
What is the SMILES notation for 1-cyclohexyl-3-[3-(4-fluoro-3-phenoxyphenyl)prop-2-enyl]-1-hydroxyurea?
The canonical SMILES for 1-cyclohexyl-3-[3-(4-fluoro-3-phenoxyphenyl)prop-2-enyl]-1-hydroxyurea is O=C(NCC=Cc1ccc(F)c(Oc2ccccc2)c1)N(O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[3-(4-fluoro-3-phenoxyphenyl)prop-2-enyl]-1-hydroxyurea?
The InChIKey is XBBVIIDPZQZIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c23-20-14-13-17(16-21(20)28-19-11-5-2-6-12-19)8-7-15-24-22(26)25(27)18-9-3-1-4-10-18/h2,5-8,11-14,16,18,27H,1,3-4,9-10,15H2,(H,24,26).
What are the key properties of 1-cyclohexyl-3-[3-(4-fluoro-3-phenoxyphenyl)prop-2-enyl]-1-hydroxyurea?
1-cyclohexyl-3-[3-(4-fluoro-3-phenoxyphenyl)prop-2-enyl]-1-hydroxyurea has a molecular weight of 384.45 g/mol, XLogP of 5.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[3-(4-fluoro-3-phenoxyphenyl)prop-2-enyl]-1-hydroxyurea is sourced from PubChem (CID 88682157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).