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

C16H14ClFN2O2 — CID 108907784

IUPAC1-(3-chloro-4-fluorophenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
SMILESCOc1ccc(/C=C/NC(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C16H14ClFN2O2/c1-22-13-5-2-11(3-6-13)8-9-19-16(21)20-12-4-7-15(18)14(17)10-12/h2-10H,1H3,(H2,19,20,21)/b9-8+
InChIKeyCTGJDDRVWXAGEX-CMDGGOBGSA-N
MW320.75 g/mol
LogP4.28
Rot. Bonds4

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

1-(3-chloro-4-fluorophenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea (PubChem CID 108907784) has the molecular formula C16H14ClFN2O2 and a molecular weight of 320.75 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
PubChem CID108907784
Molecular FormulaC16H14ClFN2O2
Molecular Weight320.75 g/mol
Exact Mass320.07
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
SMILESCOc1ccc(/C=C/NC(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C16H14ClFN2O2/c1-22-13-5-2-11(3-6-13)8-9-19-16(21)20-12-4-7-15(18)14(17)10-12/h2-10H,1H3,(H2,19,20,21)/b9-8+
InChIKeyCTGJDDRVWXAGEX-CMDGGOBGSA-N
XLogP4.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-4-fluorophenyl)-3-[(E)-2-(4-methoxyphenyl)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-(3-chloro-4-methylphenyl)-3-[(E)-2-(4-chlorophenyl)ethenyl]urea
CID 108908299
N'-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44998409
N-[3-[[(E)-2-(4-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetamide
CID 108907739
1-(3,4-dichlorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108907926
1-(1,3-benzodioxol-5-yl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907811
1-(3,4-diethoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907679
1-(3-chloro-4-fluorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904433
1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108907908
(E)-N-(3,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 897806
(E)-N-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 5404828
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108908365
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyrimidin-2-ylurea
CID 108907686

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea (CID 108907784) is 1-(3-chloro-4-fluorophenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea is COc1ccc(/C=C/NC(=O)Nc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea?
The InChIKey is CTGJDDRVWXAGEX-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H14ClFN2O2/c1-22-13-5-2-11(3-6-13)8-9-19-16(21)20-12-4-7-15(18)14(17)10-12/h2-10H,1H3,(H2,19,20,21)/b9-8+.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea?
1-(3-chloro-4-fluorophenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea has a molecular weight of 320.75 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea is sourced from PubChem (CID 108907784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).