4-[2-[2-[(2,6-dichlorobenzoyl)amino]phenyl]ethenyl]benzoic acid

C22H15Cl2NO3 — CID 174535080

IUPAC4-[2-[2-[(2,6-dichlorobenzoyl)amino]phenyl]ethenyl]benzoic acid
SMILESO=C(O)c1ccc(C=Cc2ccccc2NC(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C22H15Cl2NO3/c23-17-5-3-6-18(24)20(17)21(26)25-19-7-2-1-4-15(19)11-8-14-9-12-16(13-10-14)22(27)28/h1-13H,(H,25,26)(H,27,28)
InChIKeyFAAOEGUPQNEUQB-UHFFFAOYSA-N
MW412.27 g/mol
LogP6.11
Rot. Bonds5

About 4-[2-[2-[(2,6-dichlorobenzoyl)amino]phenyl]ethenyl]benzoic acid

4-[2-[2-[(2,6-dichlorobenzoyl)amino]phenyl]ethenyl]benzoic acid (PubChem CID 174535080) has the molecular formula C22H15Cl2NO3 and a molecular weight of 412.27 g/mol. Its IUPAC name is 4-[2-[2-[(2,6-dichlorobenzoyl)amino]phenyl]ethenyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[2-[(2,6-dichlorobenzoyl)amino]phenyl]ethenyl]benzoic acid
PubChem CID174535080
Molecular FormulaC22H15Cl2NO3
Molecular Weight412.27 g/mol
Exact Mass411.04
IUPAC Name4-[2-[2-[(2,6-dichlorobenzoyl)amino]phenyl]ethenyl]benzoic acid
SMILESO=C(O)c1ccc(C=Cc2ccccc2NC(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C22H15Cl2NO3/c23-17-5-3-6-18(24)20(17)21(26)25-19-7-2-1-4-15(19)11-8-14-9-12-16(13-10-14)22(27)28/h1-13H,(H,25,26)(H,27,28)
InChIKeyFAAOEGUPQNEUQB-UHFFFAOYSA-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

tert-butyl 4-[2-[2-[(2,6-dichlorobenzoyl)amino]phenyl]ethenyl]benzenecarboperoxoate
CID 174548832
N-[2-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]benzamide
CID 166628260
4-[(2,6-dichlorobenzoyl)amino]-3-hydroxybenzoic acid
CID 60825182
4-[(E)-2-[2-(4-chlorophenyl)phenyl]ethenyl]benzoic acid
CID 22400848
N-(2-chlorophenyl)-4-(3,3-dimethylbut-1-enyl)benzamide
CID 72771533
4-[(3-chloro-2-fluorophenyl)carbamoyl]benzoic acid
CID 43452947
4-[(Z)-2-[4-[(E)-2-(4-carboxyphenyl)ethenyl]phenyl]ethenyl]benzoic acid
CID 67828586
3-[(Z)-2-(4-carboxyphenyl)ethenyl]benzoic acid
CID 67720414
2,6-dichloro-N-(2-propan-2-ylphenyl)benzamide
CID 4547297
2,6-dichloro-N-(2-methoxyphenyl)benzamide
CID 853872
5-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoic acid
CID 10427632
2-[[2-[(Z)-prop-1-enyl]phenyl]carbamoyl]benzoic acid
CID 138738575

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[(2,6-dichlorobenzoyl)amino]phenyl]ethenyl]benzoic acid?
The IUPAC name of 4-[2-[2-[(2,6-dichlorobenzoyl)amino]phenyl]ethenyl]benzoic acid (CID 174535080) is 4-[2-[2-[(2,6-dichlorobenzoyl)amino]phenyl]ethenyl]benzoic acid.
What is the SMILES notation for 4-[2-[2-[(2,6-dichlorobenzoyl)amino]phenyl]ethenyl]benzoic acid?
The canonical SMILES for 4-[2-[2-[(2,6-dichlorobenzoyl)amino]phenyl]ethenyl]benzoic acid is O=C(O)c1ccc(C=Cc2ccccc2NC(=O)c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 4-[2-[2-[(2,6-dichlorobenzoyl)amino]phenyl]ethenyl]benzoic acid?
The InChIKey is FAAOEGUPQNEUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2NO3/c23-17-5-3-6-18(24)20(17)21(26)25-19-7-2-1-4-15(19)11-8-14-9-12-16(13-10-14)22(27)28/h1-13H,(H,25,26)(H,27,28).
What are the key properties of 4-[2-[2-[(2,6-dichlorobenzoyl)amino]phenyl]ethenyl]benzoic acid?
4-[2-[2-[(2,6-dichlorobenzoyl)amino]phenyl]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 4-[2-[2-[(2,6-dichlorobenzoyl)amino]phenyl]ethenyl]benzoic acid is sourced from PubChem (CID 174535080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).