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

C22H16INO4 — CID 6480706

IUPAC(Z)-2-benzamido-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid
SMILESO=C(O)/C(=C/c1ccc(Oc2ccccc2I)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C22H16INO4/c23-18-8-4-5-9-20(18)28-17-12-10-15(11-13-17)14-19(22(26)27)24-21(25)16-6-2-1-3-7-16/h1-14H,(H,24,25)(H,26,27)/b19-14-
InChIKeyYFLCAWCQWOIGOL-RGEXLXHISA-N
MW485.28 g/mol
LogP4.94
Rot. Bonds6

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

(Z)-2-benzamido-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid (PubChem CID 6480706) has the molecular formula C22H16INO4 and a molecular weight of 485.28 g/mol. Its IUPAC name is (Z)-2-benzamido-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-benzamido-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid
PubChem CID6480706
Molecular FormulaC22H16INO4
Molecular Weight485.28 g/mol
Exact Mass485.01
IUPAC Name(Z)-2-benzamido-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid
SMILESO=C(O)/C(=C/c1ccc(Oc2ccccc2I)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C22H16INO4/c23-18-8-4-5-9-20(18)28-17-12-10-15(11-13-17)14-19(22(26)27)24-21(25)16-6-2-1-3-7-16/h1-14H,(H,24,25)(H,26,27)/b19-14-
InChIKeyYFLCAWCQWOIGOL-RGEXLXHISA-N
XLogP4.94
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.28
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'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-iodophenoxy)phenyl]prop-2-enoic acid?
The IUPAC name of (Z)-2-benzamido-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid (CID 6480706) is (Z)-2-benzamido-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid.
What is the SMILES notation for (Z)-2-benzamido-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid?
The canonical SMILES for (Z)-2-benzamido-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid is O=C(O)/C(=C/c1ccc(Oc2ccccc2I)cc1)NC(=O)c1ccccc1.
What is the InChIKey of (Z)-2-benzamido-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid?
The InChIKey is YFLCAWCQWOIGOL-RGEXLXHISA-N. The full InChI is InChI=1S/C22H16INO4/c23-18-8-4-5-9-20(18)28-17-12-10-15(11-13-17)14-19(22(26)27)24-21(25)16-6-2-1-3-7-16/h1-14H,(H,24,25)(H,26,27)/b19-14-.
What are the key properties of (Z)-2-benzamido-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid?
(Z)-2-benzamido-3-[4-(2-iodophenoxy)phenyl]prop-2-enoic acid has a molecular weight of 485.28 g/mol, XLogP of 4.94, 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-iodophenoxy)phenyl]prop-2-enoic acid is sourced from PubChem (CID 6480706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).