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

C16H14ClFN2O — CID 108904890

IUPAC1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[(3-fluorophenyl)methyl]urea
SMILESO=C(N/C=C/c1ccccc1Cl)NCc1cccc(F)c1
InChIInChI=1S/C16H14ClFN2O/c17-15-7-2-1-5-13(15)8-9-19-16(21)20-11-12-4-3-6-14(18)10-12/h1-10H,11H2,(H2,19,20,21)/b9-8+
InChIKeyFQXIDTWKILUOME-CMDGGOBGSA-N
MW304.75 g/mol
LogP3.95
Rot. Bonds4

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

1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[(3-fluorophenyl)methyl]urea (PubChem CID 108904890) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[(3-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[(3-fluorophenyl)methyl]urea
PubChem CID108904890
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC Name1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[(3-fluorophenyl)methyl]urea
SMILESO=C(N/C=C/c1ccccc1Cl)NCc1cccc(F)c1
InChIInChI=1S/C16H14ClFN2O/c17-15-7-2-1-5-13(15)8-9-19-16(21)20-11-12-4-3-6-14(18)10-12/h1-10H,11H2,(H2,19,20,21)/b9-8+
InChIKeyFQXIDTWKILUOME-CMDGGOBGSA-N
XLogP3.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-fluorophenyl)methyl]-3-[(E)-prop-1-enyl]urea
CID 108909716
1-(3-chloro-2-methylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 47193368
1-[(3-fluorophenyl)methyl]-3-sulfanylurea
CID 141033956
1-[(4-fluorophenyl)methyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903690
1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
CID 47172429
1-benzyl-3-[(E)-2-(2-bromophenyl)ethenyl]urea
CID 108905000
2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 47161047
(E)-3-(2-chlorophenyl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]prop-2-enamide
CID 19336376
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-[(4-methylphenyl)methyl]urea
CID 108906179
1-[(3-bromophenyl)methyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108908245
2-[(3-fluorophenyl)methylcarbamoylamino]acetic acid
CID 16780933
1-[(3-fluorophenyl)methyl]-3-(2-hydroxypropyl)urea
CID 117235352

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[(3-fluorophenyl)methyl]urea?
The IUPAC name of 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[(3-fluorophenyl)methyl]urea (CID 108904890) is 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[(3-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[(3-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[(3-fluorophenyl)methyl]urea is O=C(N/C=C/c1ccccc1Cl)NCc1cccc(F)c1.
What is the InChIKey of 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[(3-fluorophenyl)methyl]urea?
The InChIKey is FQXIDTWKILUOME-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c17-15-7-2-1-5-13(15)8-9-19-16(21)20-11-12-4-3-6-14(18)10-12/h1-10H,11H2,(H2,19,20,21)/b9-8+.
What are the key properties of 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[(3-fluorophenyl)methyl]urea?
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[(3-fluorophenyl)methyl]urea has a molecular weight of 304.75 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[(3-fluorophenyl)methyl]urea is sourced from PubChem (CID 108904890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).