1-(5-chloro-2-methylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea

C16H14ClFN2O — CID 108908002

IUPAC1-(5-chloro-2-methylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
SMILESCc1ccc(Cl)cc1NC(=O)N/C=C/c1ccc(F)cc1
InChIInChI=1S/C16H14ClFN2O/c1-11-2-5-13(17)10-15(11)20-16(21)19-9-8-12-3-6-14(18)7-4-12/h2-10H,1H3,(H2,19,20,21)/b9-8+
InChIKeyOVIRJSQXSVWLQN-CMDGGOBGSA-N
MW304.75 g/mol
LogP4.58
Rot. Bonds3

About 1-(5-chloro-2-methylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea

1-(5-chloro-2-methylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea (PubChem CID 108908002) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
PubChem CID108908002
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC Name1-(5-chloro-2-methylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
SMILESCc1ccc(Cl)cc1NC(=O)N/C=C/c1ccc(F)cc1
InChIInChI=1S/C16H14ClFN2O/c1-11-2-5-13(17)10-15(11)20-16(21)19-9-8-12-3-6-14(18)7-4-12/h2-10H,1H3,(H2,19,20,21)/b9-8+
InChIKeyOVIRJSQXSVWLQN-CMDGGOBGSA-N
XLogP4.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(5-chloro-2-methylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-difluorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108908226
1-(2-chloro-4,6-dimethylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108908195
1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
CID 108907198
1-(3-chloro-4-methylphenyl)-3-[(E)-2-(4-chlorophenyl)ethenyl]urea
CID 108908299
1-[(E)-2-(4-methylphenyl)ethenyl]-3-(2,3,4-trifluorophenyl)urea
CID 108907476
1-(3,4-dichlorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108907926
N-(5-chloro-2-methylphenyl)-2-(4-fluorophenyl)acetamide
CID 808427
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 108908555
1-(5-chloro-2-methylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892469
N'-(5-chloro-2-methylphenyl)-N-(2,5-difluorophenyl)oxamide
CID 108511873
1-(5-chloro-2-methoxyphenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 970503
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-phenylurea
CID 108908068

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea (CID 108908002) is 1-(5-chloro-2-methylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea is Cc1ccc(Cl)cc1NC(=O)N/C=C/c1ccc(F)cc1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea?
The InChIKey is OVIRJSQXSVWLQN-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c1-11-2-5-13(17)10-15(11)20-16(21)19-9-8-12-3-6-14(18)7-4-12/h2-10H,1H3,(H2,19,20,21)/b9-8+.
What are the key properties of 1-(5-chloro-2-methylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea?
1-(5-chloro-2-methylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea has a molecular weight of 304.75 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea is sourced from PubChem (CID 108908002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).