(Z)-2-benzamido-3-[4-(2-methylphenoxy)phenyl]prop-2-enoic acid

C23H19NO4 — CID 6480707

IUPAC(Z)-2-benzamido-3-[4-(2-methylphenoxy)phenyl]prop-2-enoic acid
SMILESCc1ccccc1Oc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)O)cc1
InChIInChI=1S/C23H19NO4/c1-16-7-5-6-10-21(16)28-19-13-11-17(12-14-19)15-20(23(26)27)24-22(25)18-8-3-2-4-9-18/h2-15H,1H3,(H,24,25)(H,26,27)/b20-15-
InChIKeyKCCUFQLLLSRATN-HKWRFOASSA-N
MW373.41 g/mol
LogP4.64
Rot. Bonds6

About (Z)-2-benzamido-3-[4-(2-methylphenoxy)phenyl]prop-2-enoic acid

(Z)-2-benzamido-3-[4-(2-methylphenoxy)phenyl]prop-2-enoic acid (PubChem CID 6480707) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is (Z)-2-benzamido-3-[4-(2-methylphenoxy)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-benzamido-3-[4-(2-methylphenoxy)phenyl]prop-2-enoic acid
PubChem CID6480707
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name(Z)-2-benzamido-3-[4-(2-methylphenoxy)phenyl]prop-2-enoic acid
SMILESCc1ccccc1Oc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)O)cc1
InChIInChI=1S/C23H19NO4/c1-16-7-5-6-10-21(16)28-19-13-11-17(12-14-19)15-20(23(26)27)24-22(25)18-8-3-2-4-9-18/h2-15H,1H3,(H,24,25)(H,26,27)/b20-15-
InChIKeyKCCUFQLLLSRATN-HKWRFOASSA-N
XLogP4.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-benzamido-3-[4-(2-methylphenoxy)phenyl]prop-2-enoic acid?
The IUPAC name of (Z)-2-benzamido-3-[4-(2-methylphenoxy)phenyl]prop-2-enoic acid (CID 6480707) is (Z)-2-benzamido-3-[4-(2-methylphenoxy)phenyl]prop-2-enoic acid.
What is the SMILES notation for (Z)-2-benzamido-3-[4-(2-methylphenoxy)phenyl]prop-2-enoic acid?
The canonical SMILES for (Z)-2-benzamido-3-[4-(2-methylphenoxy)phenyl]prop-2-enoic acid is Cc1ccccc1Oc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)O)cc1.
What is the InChIKey of (Z)-2-benzamido-3-[4-(2-methylphenoxy)phenyl]prop-2-enoic acid?
The InChIKey is KCCUFQLLLSRATN-HKWRFOASSA-N. The full InChI is InChI=1S/C23H19NO4/c1-16-7-5-6-10-21(16)28-19-13-11-17(12-14-19)15-20(23(26)27)24-22(25)18-8-3-2-4-9-18/h2-15H,1H3,(H,24,25)(H,26,27)/b20-15-.
What are the key properties of (Z)-2-benzamido-3-[4-(2-methylphenoxy)phenyl]prop-2-enoic acid?
(Z)-2-benzamido-3-[4-(2-methylphenoxy)phenyl]prop-2-enoic acid has a molecular weight of 373.41 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-benzamido-3-[4-(2-methylphenoxy)phenyl]prop-2-enoic acid is sourced from PubChem (CID 6480707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).