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

C17H17ClN2O2 — CID 108908536

IUPAC1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)N/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O2/c1-2-22-16-6-4-3-5-15(16)20-17(21)19-12-11-13-7-9-14(18)10-8-13/h3-12H,2H2,1H3,(H2,19,20,21)/b12-11+
InChIKeySQVHLTRKYGSYKY-VAWYXSNFSA-N
MW316.79 g/mol
LogP4.53
Rot. Bonds5

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

1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-ethoxyphenyl)urea (PubChem CID 108908536) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-ethoxyphenyl)urea
PubChem CID108908536
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)N/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O2/c1-2-22-16-6-4-3-5-15(16)20-17(21)19-12-11-13-7-9-14(18)10-8-13/h3-12H,2H2,1H3,(H2,19,20,21)/b12-11+
InChIKeySQVHLTRKYGSYKY-VAWYXSNFSA-N
XLogP4.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-ethoxyphenyl)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-ethoxyphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108904070
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-ethoxyphenyl)urea
CID 108908387
1-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]urea
CID 108903091
1-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenyl)urea
CID 108991826
1-[(E)-2-cyclopentylethenyl]-3-(2-ethoxyphenyl)urea
CID 108911873
(E)-N-(2-ethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 84552249
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-ethoxypropyl)urea
CID 108908330
1-[(2,4-dichlorophenoxy)methyl]-3-(2-ethoxyphenyl)urea
CID 108881082
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 4103293
3-(4-chlorophenyl)-2-cyano-N-(2-ethoxyphenyl)-3-oxopropanamide
CID 51086465
N-[(4-chlorophenyl)methyl]-N'-(2-ethoxyphenyl)propanediamide
CID 108946779
1-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)urea
CID 108992038

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-ethoxyphenyl)urea?
The IUPAC name of 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-ethoxyphenyl)urea (CID 108908536) is 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-ethoxyphenyl)urea.
What is the SMILES notation for 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-ethoxyphenyl)urea?
The canonical SMILES for 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-ethoxyphenyl)urea is CCOc1ccccc1NC(=O)N/C=C/c1ccc(Cl)cc1.
What is the InChIKey of 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-ethoxyphenyl)urea?
The InChIKey is SQVHLTRKYGSYKY-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-2-22-16-6-4-3-5-15(16)20-17(21)19-12-11-13-7-9-14(18)10-8-13/h3-12H,2H2,1H3,(H2,19,20,21)/b12-11+.
What are the key properties of 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-ethoxyphenyl)urea?
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-ethoxyphenyl)urea has a molecular weight of 316.79 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-ethoxyphenyl)urea is sourced from PubChem (CID 108908536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).