2-benzamido-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide

C22H20N2O4 — CID 78799601

IUPAC2-benzamido-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)NCCc1ccc(O)c(O)c1)c1ccccc1
InChIInChI=1S/C22H20N2O4/c25-19-11-10-15(14-20(19)26)12-13-23-22(28)17-8-4-5-9-18(17)24-21(27)16-6-2-1-3-7-16/h1-11,14,25-26H,12-13H2,(H,23,28)(H,24,27)
InChIKeyPVZFFDGIWXSFAU-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.32
Rot. Bonds6

About 2-benzamido-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide

2-benzamido-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide (PubChem CID 78799601) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-benzamido-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-benzamido-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
PubChem CID78799601
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name2-benzamido-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)NCCc1ccc(O)c(O)c1)c1ccccc1
InChIInChI=1S/C22H20N2O4/c25-19-11-10-15(14-20(19)26)12-13-23-22(28)17-8-4-5-9-18(17)24-21(27)16-6-2-1-3-7-16/h1-11,14,25-26H,12-13H2,(H,23,28)(H,24,27)
InChIKeyPVZFFDGIWXSFAU-UHFFFAOYSA-N
XLogP3.32
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 4142764
2-benzoyl-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 177308540
3-benzamido-4-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 46410067
methyl 4-[[2-(2-phenylethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178238
2-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 2193182
N-[2-(4-fluorophenyl)ethyl]-2-[(3-methylbenzoyl)amino]benzamide
CID 26549728
N-[2-(2-phenylethylcarbamoyl)phenyl]furan-3-carboxamide
CID 18102051
2-benzamido-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 30548525
3-[2-[(2-hydroxybenzoyl)amino]ethyl]benzoic acid
CID 63795110
[2-(2-phenylethylcarbamoyl)phenyl]carbamothioic S-acid
CID 155166285
N-[2-(3,4-dihydroxyphenyl)ethyl]-3,5-difluorobenzamide
CID 78796775
3-(3-benzamido-4-hydroxyphenyl)propanoic acid
CID 58017754

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide?
The IUPAC name of 2-benzamido-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide (CID 78799601) is 2-benzamido-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-benzamido-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-benzamido-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide is O=C(Nc1ccccc1C(=O)NCCc1ccc(O)c(O)c1)c1ccccc1.
What is the InChIKey of 2-benzamido-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide?
The InChIKey is PVZFFDGIWXSFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c25-19-11-10-15(14-20(19)26)12-13-23-22(28)17-8-4-5-9-18(17)24-21(27)16-6-2-1-3-7-16/h1-11,14,25-26H,12-13H2,(H,23,28)(H,24,27).
What are the key properties of 2-benzamido-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide?
2-benzamido-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide has a molecular weight of 376.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide is sourced from PubChem (CID 78799601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).