(Z)-2-benzamido-3-(3-phenoxyphenyl)prop-2-enoic acid

C22H17NO4 — CID 58631662

IUPAC(Z)-2-benzamido-3-(3-phenoxyphenyl)prop-2-enoic acid
SMILESO=C(O)/C(=C/c1cccc(Oc2ccccc2)c1)NC(=O)c1ccccc1
InChIInChI=1S/C22H17NO4/c24-21(17-9-3-1-4-10-17)23-20(22(25)26)15-16-8-7-13-19(14-16)27-18-11-5-2-6-12-18/h1-15H,(H,23,24)(H,25,26)/b20-15-
InChIKeyPVGIKPUECRYNLV-HKWRFOASSA-N
MW359.38 g/mol
LogP4.33
Rot. Bonds6

About (Z)-2-benzamido-3-(3-phenoxyphenyl)prop-2-enoic acid

(Z)-2-benzamido-3-(3-phenoxyphenyl)prop-2-enoic acid (PubChem CID 58631662) has the molecular formula C22H17NO4 and a molecular weight of 359.38 g/mol. Its IUPAC name is (Z)-2-benzamido-3-(3-phenoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-benzamido-3-(3-phenoxyphenyl)prop-2-enoic acid
PubChem CID58631662
Molecular FormulaC22H17NO4
Molecular Weight359.38 g/mol
Exact Mass359.12
IUPAC Name(Z)-2-benzamido-3-(3-phenoxyphenyl)prop-2-enoic acid
SMILESO=C(O)/C(=C/c1cccc(Oc2ccccc2)c1)NC(=O)c1ccccc1
InChIInChI=1S/C22H17NO4/c24-21(17-9-3-1-4-10-17)23-20(22(25)26)15-16-8-7-13-19(14-16)27-18-11-5-2-6-12-18/h1-15H,(H,23,24)(H,25,26)/b20-15-
InChIKeyPVGIKPUECRYNLV-HKWRFOASSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-benzamido-3-(3-phenoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-benzamido-3-(3-phenoxyphenyl)prop-2-enoic acid (CID 58631662) is (Z)-2-benzamido-3-(3-phenoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-benzamido-3-(3-phenoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-benzamido-3-(3-phenoxyphenyl)prop-2-enoic acid is O=C(O)/C(=C/c1cccc(Oc2ccccc2)c1)NC(=O)c1ccccc1.
What is the InChIKey of (Z)-2-benzamido-3-(3-phenoxyphenyl)prop-2-enoic acid?
The InChIKey is PVGIKPUECRYNLV-HKWRFOASSA-N. The full InChI is InChI=1S/C22H17NO4/c24-21(17-9-3-1-4-10-17)23-20(22(25)26)15-16-8-7-13-19(14-16)27-18-11-5-2-6-12-18/h1-15H,(H,23,24)(H,25,26)/b20-15-.
What are the key properties of (Z)-2-benzamido-3-(3-phenoxyphenyl)prop-2-enoic acid?
(Z)-2-benzamido-3-(3-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 (Z)-2-benzamido-3-(3-phenoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 58631662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).