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

C15H13FN2O2 — CID 108906051

IUPAC1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(3-hydroxyphenyl)urea
SMILESO=C(N/C=C/c1cccc(F)c1)Nc1cccc(O)c1
InChIInChI=1S/C15H13FN2O2/c16-12-4-1-3-11(9-12)7-8-17-15(20)18-13-5-2-6-14(19)10-13/h1-10,19H,(H2,17,18,20)/b8-7+
InChIKeyCMNFQDLDNWCTOO-BQYQJAHWSA-N
MW272.28 g/mol
LogP3.32
Rot. Bonds3

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

1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(3-hydroxyphenyl)urea (PubChem CID 108906051) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(3-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(3-hydroxyphenyl)urea
PubChem CID108906051
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(3-hydroxyphenyl)urea
SMILESO=C(N/C=C/c1cccc(F)c1)Nc1cccc(O)c1
InChIInChI=1S/C15H13FN2O2/c16-12-4-1-3-11(9-12)7-8-17-15(20)18-13-5-2-6-14(19)10-13/h1-10,19H,(H2,17,18,20)/b8-7+
InChIKeyCMNFQDLDNWCTOO-BQYQJAHWSA-N
XLogP3.32
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-3-[(E)-2-phenylethenyl]urea
CID 108903344
1-(4-bromophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906048
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(3-hydroxyphenyl)urea
CID 108908654
1-(4-amino-3-chlorophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906166
1-[4-(dimethylamino)phenyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906262
2-[4-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]phenyl]acetic acid
CID 108906208
1-(4-ethoxyphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906155
N-[3-[[(E)-2-phenylethenyl]carbamoylamino]phenyl]acetamide
CID 108903270
1-(3-fluorophenyl)-3-[(E)-prop-1-enyl]urea
CID 108909659
1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906142
ethyl 4-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]benzoate
CID 108906070
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(2-nitrophenyl)urea
CID 108906050

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(3-hydroxyphenyl)urea?
The IUPAC name of 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(3-hydroxyphenyl)urea (CID 108906051) is 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(3-hydroxyphenyl)urea.
What is the SMILES notation for 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(3-hydroxyphenyl)urea?
The canonical SMILES for 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(3-hydroxyphenyl)urea is O=C(N/C=C/c1cccc(F)c1)Nc1cccc(O)c1.
What is the InChIKey of 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(3-hydroxyphenyl)urea?
The InChIKey is CMNFQDLDNWCTOO-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H13FN2O2/c16-12-4-1-3-11(9-12)7-8-17-15(20)18-13-5-2-6-14(19)10-13/h1-10,19H,(H2,17,18,20)/b8-7+.
What are the key properties of 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(3-hydroxyphenyl)urea?
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(3-hydroxyphenyl)urea has a molecular weight of 272.28 g/mol, XLogP of 3.32, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(3-hydroxyphenyl)urea is sourced from PubChem (CID 108906051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).