3-(dimethylamino)-N-[(2-hydroxyphenyl)methylideneamino]benzamide

C16H17N3O2 — CID 137065890

IUPAC3-(dimethylamino)-N-[(2-hydroxyphenyl)methylideneamino]benzamide
SMILESCN(C)c1cccc(C(=O)NN=Cc2ccccc2O)c1
InChIInChI=1S/C16H17N3O2/c1-19(2)14-8-5-7-12(10-14)16(21)18-17-11-13-6-3-4-9-15(13)20/h3-11,20H,1-2H3,(H,18,21)
InChIKeyWICBHRBNRCOSEE-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.22
Rot. Bonds4

About 3-(dimethylamino)-N-[(2-hydroxyphenyl)methylideneamino]benzamide

3-(dimethylamino)-N-[(2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 137065890) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[(2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[(2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID137065890
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-(dimethylamino)-N-[(2-hydroxyphenyl)methylideneamino]benzamide
SMILESCN(C)c1cccc(C(=O)NN=Cc2ccccc2O)c1
InChIInChI=1S/C16H17N3O2/c1-19(2)14-8-5-7-12(10-14)16(21)18-17-11-13-6-3-4-9-15(13)20/h3-11,20H,1-2H3,(H,18,21)
InChIKeyWICBHRBNRCOSEE-UHFFFAOYSA-N
XLogP2.22
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(dimethylamino)benzamide
CID 135982653
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-(dimethylamino)benzamide
CID 135982630
3-(dimethylamino)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
CID 137050197
2-chloro-3-[(E)-[[3-(dimethylamino)benzoyl]hydrazinylidene]methyl]benzoic acid
CID 138041436
N-[(E)-(2,6-difluoro-3-hydroxyphenyl)methylideneamino]-3-(dimethylamino)benzamide
CID 138043810
3-(dimethylamino)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]benzamide
CID 5455221
3-(dimethylamino)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]benzamide
CID 6875121
3,5-dihydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135708473
N-[(E)-(2-hydroxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 135608250
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-(dimethylamino)benzamide
CID 126003739
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 136912782
3-hydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-5-methylbenzamide
CID 172933707

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[(2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[(2-hydroxyphenyl)methylideneamino]benzamide (CID 137065890) is 3-(dimethylamino)-N-[(2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[(2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[(2-hydroxyphenyl)methylideneamino]benzamide is CN(C)c1cccc(C(=O)NN=Cc2ccccc2O)c1.
What is the InChIKey of 3-(dimethylamino)-N-[(2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is WICBHRBNRCOSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-19(2)14-8-5-7-12(10-14)16(21)18-17-11-13-6-3-4-9-15(13)20/h3-11,20H,1-2H3,(H,18,21).
What are the key properties of 3-(dimethylamino)-N-[(2-hydroxyphenyl)methylideneamino]benzamide?
3-(dimethylamino)-N-[(2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 283.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[(2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 137065890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).