2-benzamido-4-[(E)-2-(3,5-dichlorophenyl)ethenyl]benzoic acid

C22H15Cl2NO3 — CID 69093707

IUPAC2-benzamido-4-[(E)-2-(3,5-dichlorophenyl)ethenyl]benzoic acid
SMILESO=C(Nc1cc(/C=C/c2cc(Cl)cc(Cl)c2)ccc1C(=O)O)c1ccccc1
InChIInChI=1S/C22H15Cl2NO3/c23-17-10-15(11-18(24)13-17)7-6-14-8-9-19(22(27)28)20(12-14)25-21(26)16-4-2-1-3-5-16/h1-13H,(H,25,26)(H,27,28)/b7-6+
InChIKeyIKGUIZZBNPTVLV-VOTSOKGWSA-N
MW412.27 g/mol
LogP6.11
Rot. Bonds5

About 2-benzamido-4-[(E)-2-(3,5-dichlorophenyl)ethenyl]benzoic acid

2-benzamido-4-[(E)-2-(3,5-dichlorophenyl)ethenyl]benzoic acid (PubChem CID 69093707) has the molecular formula C22H15Cl2NO3 and a molecular weight of 412.27 g/mol. Its IUPAC name is 2-benzamido-4-[(E)-2-(3,5-dichlorophenyl)ethenyl]benzoic acid.

Molecular Properties

Compound Name2-benzamido-4-[(E)-2-(3,5-dichlorophenyl)ethenyl]benzoic acid
PubChem CID69093707
Molecular FormulaC22H15Cl2NO3
Molecular Weight412.27 g/mol
Exact Mass411.04
IUPAC Name2-benzamido-4-[(E)-2-(3,5-dichlorophenyl)ethenyl]benzoic acid
SMILESO=C(Nc1cc(/C=C/c2cc(Cl)cc(Cl)c2)ccc1C(=O)O)c1ccccc1
InChIInChI=1S/C22H15Cl2NO3/c23-17-10-15(11-18(24)13-17)7-6-14-8-9-19(22(27)28)20(12-14)25-21(26)16-4-2-1-3-5-16/h1-13H,(H,25,26)(H,27,28)/b7-6+
InChIKeyIKGUIZZBNPTVLV-VOTSOKGWSA-N
XLogP6.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.27
LogP ≤ 56.11
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

2-[(4-chlorobenzoyl)amino]-4-(2-phenylethenyl)benzoic acid
CID 174534912
4-(2-phenylethenyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 175255475
2-benzamido-4-(3-chloro-4-fluorophenyl)benzoic acid
CID 67341971
2-[(3,5-dichlorobenzoyl)amino]-4-phenoxybenzoic acid
CID 67344063
4-[(E)-2-(2-methoxyphenyl)ethenyl]-2-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 175252681
2-benzamido-4-[2-(1H-2,1,3-benzothiadiazol-3-yl)ethenyl]benzoic acid
CID 68913921
2-benzamido-4-(3,4-difluorophenyl)benzoic acid
CID 67342195
tert-butyl 2-benzamido-4-[(E)-2-(2-hydroxyphenyl)ethenyl]benzenecarboperoxoate
CID 174534950
4-chloro-2-(pyridine-3-carbonylamino)benzoic acid
CID 16772480
2-[(3-chlorobenzoyl)amino]-4-(2-phenylethyl)benzoic acid
CID 67343164
2-benzamido-4-(4-chloro-3-methoxyphenyl)benzoic acid
CID 174641958
4-chloro-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702304

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-4-[(E)-2-(3,5-dichlorophenyl)ethenyl]benzoic acid?
The IUPAC name of 2-benzamido-4-[(E)-2-(3,5-dichlorophenyl)ethenyl]benzoic acid (CID 69093707) is 2-benzamido-4-[(E)-2-(3,5-dichlorophenyl)ethenyl]benzoic acid.
What is the SMILES notation for 2-benzamido-4-[(E)-2-(3,5-dichlorophenyl)ethenyl]benzoic acid?
The canonical SMILES for 2-benzamido-4-[(E)-2-(3,5-dichlorophenyl)ethenyl]benzoic acid is O=C(Nc1cc(/C=C/c2cc(Cl)cc(Cl)c2)ccc1C(=O)O)c1ccccc1.
What is the InChIKey of 2-benzamido-4-[(E)-2-(3,5-dichlorophenyl)ethenyl]benzoic acid?
The InChIKey is IKGUIZZBNPTVLV-VOTSOKGWSA-N. The full InChI is InChI=1S/C22H15Cl2NO3/c23-17-10-15(11-18(24)13-17)7-6-14-8-9-19(22(27)28)20(12-14)25-21(26)16-4-2-1-3-5-16/h1-13H,(H,25,26)(H,27,28)/b7-6+.
What are the key properties of 2-benzamido-4-[(E)-2-(3,5-dichlorophenyl)ethenyl]benzoic acid?
2-benzamido-4-[(E)-2-(3,5-dichlorophenyl)ethenyl]benzoic acid has a molecular weight of 412.27 g/mol, XLogP of 6.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-4-[(E)-2-(3,5-dichlorophenyl)ethenyl]benzoic acid is sourced from PubChem (CID 69093707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).