1-[(2-chlorophenyl)methyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]urea

C16H14ClFN2O — CID 108907964

IUPAC1-[(2-chlorophenyl)methyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
SMILESO=C(N/C=C/c1ccc(F)cc1)NCc1ccccc1Cl
InChIInChI=1S/C16H14ClFN2O/c17-15-4-2-1-3-13(15)11-20-16(21)19-10-9-12-5-7-14(18)8-6-12/h1-10H,11H2,(H2,19,20,21)/b10-9+
InChIKeyLOCPVNJZYCBVCH-MDZDMXLPSA-N
MW304.75 g/mol
LogP3.95
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]urea

1-[(2-chlorophenyl)methyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]urea (PubChem CID 108907964) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]urea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
PubChem CID108907964
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC Name1-[(2-chlorophenyl)methyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
SMILESO=C(N/C=C/c1ccc(F)cc1)NCc1ccccc1Cl
InChIInChI=1S/C16H14ClFN2O/c17-15-4-2-1-3-13(15)11-20-16(21)19-10-9-12-5-7-14(18)8-6-12/h1-10H,11H2,(H2,19,20,21)/b10-9+
InChIKeyLOCPVNJZYCBVCH-MDZDMXLPSA-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-[2-(4-chlorophenyl)ethenyl]-3-[(2-methoxyphenyl)methyl]urea
CID 3748194
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-phenylurea
CID 108908068
1-(3,4-dichlorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108907926
1-[(3-bromophenyl)methyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108908245
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-prop-2-enylurea
CID 108908110
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 108908555
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(3-hydroxypropyl)urea
CID 108908089
methyl 2-[[(E)-2-(4-fluorophenyl)ethenyl]carbamoylamino]acetate
CID 108908234
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[(4-sulfamoylphenyl)methyl]urea
CID 108908056
N-[(2-chlorophenyl)methyl]-3-(3-fluorophenyl)prop-2-enamide
CID 4810781
(E)-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 7758290
1-N-[(2-chlorophenyl)methyl]-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109047321

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]urea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]urea (CID 108907964) is 1-[(2-chlorophenyl)methyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]urea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]urea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]urea is O=C(N/C=C/c1ccc(F)cc1)NCc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]urea?
The InChIKey is LOCPVNJZYCBVCH-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c17-15-4-2-1-3-13(15)11-20-16(21)19-10-9-12-5-7-14(18)8-6-12/h1-10H,11H2,(H2,19,20,21)/b10-9+.
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]urea?
1-[(2-chlorophenyl)methyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]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-[(2-chlorophenyl)methyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]urea is sourced from PubChem (CID 108907964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).