(Z)-2-benzamido-3-(2-hydroxy-3-phenylphenyl)prop-2-enoic acid

C22H17NO4 — CID 58631482

IUPAC(Z)-2-benzamido-3-(2-hydroxy-3-phenylphenyl)prop-2-enoic acid
SMILESO=C(O)/C(=C/c1cccc(-c2ccccc2)c1O)NC(=O)c1ccccc1
InChIInChI=1S/C22H17NO4/c24-20-17(12-7-13-18(20)15-8-3-1-4-9-15)14-19(22(26)27)23-21(25)16-10-5-2-6-11-16/h1-14,24H,(H,23,25)(H,26,27)/b19-14-
InChIKeyKPHPNPQJWKWNDE-RGEXLXHISA-N
MW359.38 g/mol
LogP3.91
Rot. Bonds5

About (Z)-2-benzamido-3-(2-hydroxy-3-phenylphenyl)prop-2-enoic acid

(Z)-2-benzamido-3-(2-hydroxy-3-phenylphenyl)prop-2-enoic acid (PubChem CID 58631482) has the molecular formula C22H17NO4 and a molecular weight of 359.38 g/mol. Its IUPAC name is (Z)-2-benzamido-3-(2-hydroxy-3-phenylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-benzamido-3-(2-hydroxy-3-phenylphenyl)prop-2-enoic acid
PubChem CID58631482
Molecular FormulaC22H17NO4
Molecular Weight359.38 g/mol
Exact Mass359.12
IUPAC Name(Z)-2-benzamido-3-(2-hydroxy-3-phenylphenyl)prop-2-enoic acid
SMILESO=C(O)/C(=C/c1cccc(-c2ccccc2)c1O)NC(=O)c1ccccc1
InChIInChI=1S/C22H17NO4/c24-20-17(12-7-13-18(20)15-8-3-1-4-9-15)14-19(22(26)27)23-21(25)16-10-5-2-6-11-16/h1-14,24H,(H,23,25)(H,26,27)/b19-14-
InChIKeyKPHPNPQJWKWNDE-RGEXLXHISA-N
XLogP3.91
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-benzamido-3-naphthalen-1-ylprop-2-enoic acid
CID 1099149
2-benzamido-3-(2-fluorophenyl)prop-2-enoic acid
CID 744037
(E)-2-benzamido-3-[4-(2-chlorophenyl)phenyl]prop-2-enoic acid
CID 22148158
(E)-2-benzamidobut-2-enoic acid
CID 15472529
4-[(Z)-2-benzamido-2-carboxyethenyl]phenolate
CID 54712783
(Z)-2-benzamido-3-chloroprop-2-enoic acid
CID 10977157
(Z)-2-benzamido-3-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]prop-2-enoic acid
CID 58631824
2-benzamido-3-(4-fluorophenyl)prop-2-enoic acid
CID 761263
(E)-2-benzamido-3-(2,4-dichlorophenyl)prop-2-enoic acid
CID 6209843
(Z)-2-benzamido-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid
CID 5369834
(E)-2-benzamido-3-[6-(2-chlorophenyl)-2-pyridinyl]prop-2-enoic acid
CID 22148102
(Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoate
CID 2063688

Frequently Asked Questions

What is the IUPAC name of (Z)-2-benzamido-3-(2-hydroxy-3-phenylphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-benzamido-3-(2-hydroxy-3-phenylphenyl)prop-2-enoic acid (CID 58631482) is (Z)-2-benzamido-3-(2-hydroxy-3-phenylphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-benzamido-3-(2-hydroxy-3-phenylphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-benzamido-3-(2-hydroxy-3-phenylphenyl)prop-2-enoic acid is O=C(O)/C(=C/c1cccc(-c2ccccc2)c1O)NC(=O)c1ccccc1.
What is the InChIKey of (Z)-2-benzamido-3-(2-hydroxy-3-phenylphenyl)prop-2-enoic acid?
The InChIKey is KPHPNPQJWKWNDE-RGEXLXHISA-N. The full InChI is InChI=1S/C22H17NO4/c24-20-17(12-7-13-18(20)15-8-3-1-4-9-15)14-19(22(26)27)23-21(25)16-10-5-2-6-11-16/h1-14,24H,(H,23,25)(H,26,27)/b19-14-.
What are the key properties of (Z)-2-benzamido-3-(2-hydroxy-3-phenylphenyl)prop-2-enoic acid?
(Z)-2-benzamido-3-(2-hydroxy-3-phenylphenyl)prop-2-enoic acid has a molecular weight of 359.38 g/mol, XLogP of 3.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-benzamido-3-(2-hydroxy-3-phenylphenyl)prop-2-enoic acid is sourced from PubChem (CID 58631482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).