(E)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid

C22H17NO4 — CID 22148195

IUPAC(E)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccc(Oc2ccccc2)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C22H17NO4/c24-21(17-7-3-1-4-8-17)23-20(22(25)26)15-16-11-13-19(14-12-16)27-18-9-5-2-6-10-18/h1-15H,(H,23,24)(H,25,26)/b20-15+
InChIKeyDJXASTXHZDJTTD-HMMYKYKNSA-N
MW359.38 g/mol
LogP4.33
Rot. Bonds6

About (E)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid

(E)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid (PubChem CID 22148195) has the molecular formula C22H17NO4 and a molecular weight of 359.38 g/mol. Its IUPAC name is (E)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid
PubChem CID22148195
Molecular FormulaC22H17NO4
Molecular Weight359.38 g/mol
Exact Mass359.12
IUPAC Name(E)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccc(Oc2ccccc2)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C22H17NO4/c24-21(17-7-3-1-4-8-17)23-20(22(25)26)15-16-11-13-19(14-12-16)27-18-9-5-2-6-10-18/h1-15H,(H,23,24)(H,25,26)/b20-15+
InChIKeyDJXASTXHZDJTTD-HMMYKYKNSA-N
XLogP4.33
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic 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

(E)-2-benzamido-3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid
CID 22148719
2-acetamido-3-(4-phenoxyphenyl)prop-2-enoic acid
CID 171137645
4-[(Z)-2-benzamido-2-carboxyethenyl]phenolate
CID 54712783
2-benzamido-3-(4-fluorophenyl)prop-2-enoic acid
CID 761263
(E)-2-benzamido-3-[4-(2,5-difluorophenoxy)phenyl]prop-2-enoic acid
CID 22148069
(Z)-2-benzamido-3-(4-boronophenyl)prop-2-enoic acid
CID 10913942
(E)-2-benzamido-3-[4-(2-chloro-5-methoxyphenoxy)phenyl]prop-2-enoic acid
CID 22148439
2-benzamido-3-(4-cyanophenyl)prop-2-enoic acid
CID 4769146
(E)-2-[(4-fluorobenzoyl)amino]-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid
CID 22148060
(E)-3-[4-(2-iodophenoxy)phenyl]-2-[(4-methylbenzoyl)amino]prop-2-enoic acid
CID 22148336
2-benzamido-3-[4-[(4-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 4768878
2-benzamido-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 4768923

Frequently Asked Questions

What is the IUPAC name of (E)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid?
The IUPAC name of (E)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid (CID 22148195) is (E)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (E)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (E)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid is O=C(O)/C(=C\c1ccc(Oc2ccccc2)cc1)NC(=O)c1ccccc1.
What is the InChIKey of (E)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid?
The InChIKey is DJXASTXHZDJTTD-HMMYKYKNSA-N. The full InChI is InChI=1S/C22H17NO4/c24-21(17-7-3-1-4-8-17)23-20(22(25)26)15-16-11-13-19(14-12-16)27-18-9-5-2-6-10-18/h1-15H,(H,23,24)(H,25,26)/b20-15+.
What are the key properties of (E)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid?
(E)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid has a molecular weight of 359.38 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 22148195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).