1-(4-fluorophenyl)-3-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]urea

C21H17FN2O2 — CID 71496034

IUPAC1-(4-fluorophenyl)-3-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc(/C=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C21H17FN2O2/c22-17-7-11-19(12-8-17)24-21(26)23-18-9-3-15(4-10-18)1-2-16-5-13-20(25)14-6-16/h1-14,25H,(H2,23,24,26)/b2-1+
InChIKeyIFFVKNJBUIYXOO-OWOJBTEDSA-N
MW348.38 g/mol
LogP5.35
Rot. Bonds4

About 1-(4-fluorophenyl)-3-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]urea

1-(4-fluorophenyl)-3-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]urea (PubChem CID 71496034) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]urea
PubChem CID71496034
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name1-(4-fluorophenyl)-3-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc(/C=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C21H17FN2O2/c22-17-7-11-19(12-8-17)24-21(26)23-18-9-3-15(4-10-18)1-2-16-5-13-20(25)14-6-16/h1-14,25H,(H2,23,24,26)/b2-1+
InChIKeyIFFVKNJBUIYXOO-OWOJBTEDSA-N
XLogP5.35
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.38
LogP ≤ 55.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71496036
(E)-3-(4-fluorophenyl)-N-[(4-hydroxyphenyl)carbamothioyl]prop-2-enamide
CID 920824
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-phenylurea
CID 108908068
1-(4-fluoroanilino)-3-(4-fluorophenyl)urea
CID 27165314
(E)-3-(4-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]prop-2-enamide
CID 38175849
1-[4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]phenyl]-3-phenylurea
CID 57339937
1-[4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 57339941
(4-fluorophenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 175109384
1-(3,4-dichlorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108907926
2-amino-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76891904
3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 3267972
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
CID 27870039

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]urea (CID 71496034) is 1-(4-fluorophenyl)-3-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]urea is O=C(Nc1ccc(F)cc1)Nc1ccc(/C=C/c2ccc(O)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]urea?
The InChIKey is IFFVKNJBUIYXOO-OWOJBTEDSA-N. The full InChI is InChI=1S/C21H17FN2O2/c22-17-7-11-19(12-8-17)24-21(26)23-18-9-3-15(4-10-18)1-2-16-5-13-20(25)14-6-16/h1-14,25H,(H2,23,24,26)/b2-1+.
What are the key properties of 1-(4-fluorophenyl)-3-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]urea?
1-(4-fluorophenyl)-3-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]urea has a molecular weight of 348.38 g/mol, XLogP of 5.35, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]urea is sourced from PubChem (CID 71496034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).