2-[[4-[(E)-2-phenylethenyl]phenyl]carbamoyl]benzoic acid

C22H17NO3 — CID 680540

IUPAC2-[[4-[(E)-2-phenylethenyl]phenyl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C22H17NO3/c24-21(19-8-4-5-9-20(19)22(25)26)23-18-14-12-17(13-15-18)11-10-16-6-2-1-3-7-16/h1-15H,(H,23,24)(H,25,26)/b11-10+
InChIKeyOJNMIJHBSNQYFG-ZHACJKMWSA-N
MW343.38 g/mol
LogP4.81
Rot. Bonds5

About 2-[[4-[(E)-2-phenylethenyl]phenyl]carbamoyl]benzoic acid

2-[[4-[(E)-2-phenylethenyl]phenyl]carbamoyl]benzoic acid (PubChem CID 680540) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[[4-[(E)-2-phenylethenyl]phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[4-[(E)-2-phenylethenyl]phenyl]carbamoyl]benzoic acid
PubChem CID680540
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name2-[[4-[(E)-2-phenylethenyl]phenyl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C22H17NO3/c24-21(19-8-4-5-9-20(19)22(25)26)23-18-14-12-17(13-15-18)11-10-16-6-2-1-3-7-16/h1-15H,(H,23,24)(H,25,26)/b11-10+
InChIKeyOJNMIJHBSNQYFG-ZHACJKMWSA-N
XLogP4.81
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-phenylethenyl)phenyl]naphthalene-1-carboxamide
CID 23853473
2-[(4-carboxyphenyl)carbamoyl]benzoic acid
CID 746560
2-[[4-(2-phenylethenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 68838847
2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 1008649
2-[[4-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 4544849
2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid
CID 982173
2-[[4-(2-hydroxyethyl)phenyl]carbamoyl]benzoic acid
CID 61236618
(E)-3-[4-[(2-fluorobenzoyl)amino]phenyl]prop-2-enoic acid
CID 43411613
N-(4-ethylphenyl)-2-[(E)-2-phenylethenyl]benzamide
CID 72696812
2-[[4-(diethylamino)phenyl]carbamoyl]benzoic acid
CID 730395
4-[[2-(3-phenylprop-2-enoylamino)benzoyl]amino]benzoic acid
CID 1230925
2-acetamido-5-[(E)-2-phenylethenyl]benzoic acid
CID 18405742

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(E)-2-phenylethenyl]phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[4-[(E)-2-phenylethenyl]phenyl]carbamoyl]benzoic acid (CID 680540) is 2-[[4-[(E)-2-phenylethenyl]phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[4-[(E)-2-phenylethenyl]phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[4-[(E)-2-phenylethenyl]phenyl]carbamoyl]benzoic acid is O=C(O)c1ccccc1C(=O)Nc1ccc(/C=C/c2ccccc2)cc1.
What is the InChIKey of 2-[[4-[(E)-2-phenylethenyl]phenyl]carbamoyl]benzoic acid?
The InChIKey is OJNMIJHBSNQYFG-ZHACJKMWSA-N. The full InChI is InChI=1S/C22H17NO3/c24-21(19-8-4-5-9-20(19)22(25)26)23-18-14-12-17(13-15-18)11-10-16-6-2-1-3-7-16/h1-15H,(H,23,24)(H,25,26)/b11-10+.
What are the key properties of 2-[[4-[(E)-2-phenylethenyl]phenyl]carbamoyl]benzoic acid?
2-[[4-[(E)-2-phenylethenyl]phenyl]carbamoyl]benzoic acid has a molecular weight of 343.38 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(E)-2-phenylethenyl]phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 680540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).