3-benzamido-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide

C24H21N3O3 — CID 135957409

IUPAC3-benzamido-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide
SMILESC=CCc1cccc(/C=N/NC(=O)c2cccc(NC(=O)c3ccccc3)c2)c1O
InChIInChI=1S/C24H21N3O3/c1-2-8-17-11-6-13-20(22(17)28)16-25-27-24(30)19-12-7-14-21(15-19)26-23(29)18-9-4-3-5-10-18/h2-7,9-16,28H,1,8H2,(H,26,29)(H,27,30)/b25-16+
InChIKeyPDAYKUFLNZDLLX-PCLIKHOPSA-N
MW399.45 g/mol
LogP4.14
Rot. Bonds7

About 3-benzamido-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide

3-benzamido-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide (PubChem CID 135957409) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-benzamido-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-benzamido-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide
PubChem CID135957409
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name3-benzamido-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide
SMILESC=CCc1cccc(/C=N/NC(=O)c2cccc(NC(=O)c3ccccc3)c2)c1O
InChIInChI=1S/C24H21N3O3/c1-2-8-17-11-6-13-20(22(17)28)16-25-27-24(30)19-12-7-14-21(15-19)26-23(29)18-9-4-3-5-10-18/h2-7,9-16,28H,1,8H2,(H,26,29)(H,27,30)/b25-16+
InChIKeyPDAYKUFLNZDLLX-PCLIKHOPSA-N
XLogP4.14
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]carbamoyl]phenyl]-3-nitrobenzamide
CID 135957410
N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-3-nitrobenzamide
CID 136663059
2-hydroxy-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide
CID 135715804
2-anilino-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135490294
3-benzamido-N-[(E)-benzylideneamino]benzamide
CID 56690708
N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]naphthalene-1-carboxamide
CID 136663063
N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-methoxybenzamide
CID 5056113
N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-methoxybenzamide
CID 135472749
3-[(4-fluorobenzoyl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136746485
3-[(4-fluorobenzoyl)amino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135957362
N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 135688732
N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 1268478

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide?
The IUPAC name of 3-benzamido-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide (CID 135957409) is 3-benzamido-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-benzamido-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-benzamido-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide is C=CCc1cccc(/C=N/NC(=O)c2cccc(NC(=O)c3ccccc3)c2)c1O.
What is the InChIKey of 3-benzamido-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide?
The InChIKey is PDAYKUFLNZDLLX-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-2-8-17-11-6-13-20(22(17)28)16-25-27-24(30)19-12-7-14-21(15-19)26-23(29)18-9-4-3-5-10-18/h2-7,9-16,28H,1,8H2,(H,26,29)(H,27,30)/b25-16+.
What are the key properties of 3-benzamido-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide?
3-benzamido-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide has a molecular weight of 399.45 g/mol, XLogP of 4.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135957409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).