1-(4-ethoxyphenyl)-3-(2-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea

C24H23FN2O2 — CID 42696272

IUPAC1-(4-ethoxyphenyl)-3-(2-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea
SMILESCCOc1ccc(N(C/C=C/c2ccccc2)C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C24H23FN2O2/c1-2-29-21-16-14-20(15-17-21)27(18-8-11-19-9-4-3-5-10-19)24(28)26-23-13-7-6-12-22(23)25/h3-17H,2,18H2,1H3,(H,26,28)/b11-8+
InChIKeySKINFIDGWOBVBX-DHZHZOJOSA-N
MW390.46 g/mol
LogP5.98
Rot. Bonds7

About 1-(4-ethoxyphenyl)-3-(2-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea

1-(4-ethoxyphenyl)-3-(2-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea (PubChem CID 42696272) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(2-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(2-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea
PubChem CID42696272
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC Name1-(4-ethoxyphenyl)-3-(2-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea
SMILESCCOc1ccc(N(C/C=C/c2ccccc2)C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C24H23FN2O2/c1-2-29-21-16-14-20(15-17-21)27(18-8-11-19-9-4-3-5-10-19)24(28)26-23-13-7-6-12-22(23)25/h3-17H,2,18H2,1H3,(H,26,28)/b11-8+
InChIKeySKINFIDGWOBVBX-DHZHZOJOSA-N
XLogP5.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-ethoxyphenyl)-3-(2-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]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-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enyl]urea
CID 42696281
1-[2-[(4-ethoxyphenyl)carbamoylamino]ethyl]-3-(2-fluorophenyl)-1-(4-phenoxyphenyl)urea
CID 42725951
1-[3-[(4-ethoxyphenyl)carbamoylamino]propyl]-3-(2-fluorophenyl)-1-(4-fluorophenyl)urea
CID 42705745
1-(4-ethylphenyl)-3-(3-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea
CID 42697826
N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]pentanamide
CID 42726504
1-(4-ethoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea
CID 42697597
N,2-bis(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 42696235
1-N-(4-ethoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049866
3-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-1-[(E)-3-phenylprop-2-enyl]urea
CID 42697821
5-ethoxy-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 146277110
3-(2-ethoxyphenyl)-1-ethyl-1-phenylurea
CID 108991523
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(2-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(2-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea (CID 42696272) is 1-(4-ethoxyphenyl)-3-(2-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(2-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(2-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea is CCOc1ccc(N(C/C=C/c2ccccc2)C(=O)Nc2ccccc2F)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(2-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea?
The InChIKey is SKINFIDGWOBVBX-DHZHZOJOSA-N. The full InChI is InChI=1S/C24H23FN2O2/c1-2-29-21-16-14-20(15-17-21)27(18-8-11-19-9-4-3-5-10-19)24(28)26-23-13-7-6-12-22(23)25/h3-17H,2,18H2,1H3,(H,26,28)/b11-8+.
What are the key properties of 1-(4-ethoxyphenyl)-3-(2-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea?
1-(4-ethoxyphenyl)-3-(2-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea has a molecular weight of 390.46 g/mol, XLogP of 5.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(2-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea is sourced from PubChem (CID 42696272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).