2-[4-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]phenyl]acetic acid

C17H15FN2O3 — CID 108906208

IUPAC2-[4-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)N/C=C/c2cccc(F)c2)cc1
InChIInChI=1S/C17H15FN2O3/c18-14-3-1-2-12(10-14)8-9-19-17(23)20-15-6-4-13(5-7-15)11-16(21)22/h1-10H,11H2,(H,21,22)(H2,19,20,23)/b9-8+
InChIKeyGNXGYOXVXTUCEF-CMDGGOBGSA-N
MW314.32 g/mol
LogP3.25
Rot. Bonds5

About 2-[4-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]phenyl]acetic acid

2-[4-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]phenyl]acetic acid (PubChem CID 108906208) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is 2-[4-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]phenyl]acetic acid
PubChem CID108906208
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name2-[4-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)N/C=C/c2cccc(F)c2)cc1
InChIInChI=1S/C17H15FN2O3/c18-14-3-1-2-12(10-14)8-9-19-17(23)20-15-6-4-13(5-7-15)11-16(21)22/h1-10H,11H2,(H,21,22)(H2,19,20,23)/b9-8+
InChIKeyGNXGYOXVXTUCEF-CMDGGOBGSA-N
XLogP3.25
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[4-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]phenyl]acetic acid 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-bromophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906048
1-[4-(dimethylamino)phenyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906262
1-(4-ethoxyphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906155
1-(3-fluorophenyl)-3-[(E)-2-phenylethenyl]urea
CID 108903344
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(3-hydroxyphenyl)urea
CID 108906051
ethyl 4-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]benzoate
CID 108906070
1-(4-amino-3-chlorophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906166
4-[[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]methyl]benzoic acid
CID 108906209
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-[(4-methylphenyl)methyl]urea
CID 108906179
2-[4-[(3-fluorobenzoyl)amino]phenyl]acetic acid
CID 16792926
1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906142
2-[4-[[(E)-2-(2-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetic acid
CID 108903974

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]phenyl]acetic acid?
The IUPAC name of 2-[4-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]phenyl]acetic acid (CID 108906208) is 2-[4-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)N/C=C/c2cccc(F)c2)cc1.
What is the InChIKey of 2-[4-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]phenyl]acetic acid?
The InChIKey is GNXGYOXVXTUCEF-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H15FN2O3/c18-14-3-1-2-12(10-14)8-9-19-17(23)20-15-6-4-13(5-7-15)11-16(21)22/h1-10H,11H2,(H,21,22)(H2,19,20,23)/b9-8+.
What are the key properties of 2-[4-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]phenyl]acetic acid?
2-[4-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]phenyl]acetic acid has a molecular weight of 314.32 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]phenyl]acetic acid is sourced from PubChem (CID 108906208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).