N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(methylamino)benzamide

C16H17N3O2 — CID 136660084

IUPACN-[1-(2-hydroxyphenyl)ethylideneamino]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)NN=C(C)c1ccccc1O
InChIInChI=1S/C16H17N3O2/c1-11(12-7-4-6-10-15(12)20)18-19-16(21)13-8-3-5-9-14(13)17-2/h3-10,17,20H,1-2H3,(H,19,21)
InChIKeyNSZPCVCFGBVZRJ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.59
Rot. Bonds4

About N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(methylamino)benzamide

N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(methylamino)benzamide (PubChem CID 136660084) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyphenyl)ethylideneamino]-2-(methylamino)benzamide
PubChem CID136660084
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[1-(2-hydroxyphenyl)ethylideneamino]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)NN=C(C)c1ccccc1O
InChIInChI=1S/C16H17N3O2/c1-11(12-7-4-6-10-15(12)20)18-19-16(21)13-8-3-5-9-14(13)17-2/h3-10,17,20H,1-2H3,(H,19,21)
InChIKeyNSZPCVCFGBVZRJ-UHFFFAOYSA-N
XLogP2.59
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.59
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-methoxybenzamide
CID 144899093
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 708171
1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide
CID 135656933
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 135554989
[1-(2-hydroxyphenyl)ethylideneamino]urea
CID 2732242
4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135643111
4-tert-butyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135445579
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]pyrazine-2-carboxamide
CID 135656292
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135635825
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 135889728

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(methylamino)benzamide?
The IUPAC name of N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(methylamino)benzamide (CID 136660084) is N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(methylamino)benzamide.
What is the SMILES notation for N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(methylamino)benzamide?
The canonical SMILES for N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(methylamino)benzamide is CNc1ccccc1C(=O)NN=C(C)c1ccccc1O.
What is the InChIKey of N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(methylamino)benzamide?
The InChIKey is NSZPCVCFGBVZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11(12-7-4-6-10-15(12)20)18-19-16(21)13-8-3-5-9-14(13)17-2/h3-10,17,20H,1-2H3,(H,19,21).
What are the key properties of N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(methylamino)benzamide?
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(methylamino)benzamide has a molecular weight of 283.33 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(methylamino)benzamide is sourced from PubChem (CID 136660084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).