N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(methylamino)benzamide

C19H17N3O2 — CID 135491084

IUPACN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C19H17N3O2/c1-20-17-9-5-4-8-15(17)19(24)22-21-12-16-14-7-3-2-6-13(14)10-11-18(16)23/h2-12,20,23H,1H3,(H,22,24)/b21-12+
InChIKeyZQALNKIFVKHAQU-CIAFOILYSA-N
MW319.36 g/mol
LogP3.35
Rot. Bonds4

About N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(methylamino)benzamide

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(methylamino)benzamide (PubChem CID 135491084) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(methylamino)benzamide
PubChem CID135491084
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C19H17N3O2/c1-20-17-9-5-4-8-15(17)19(24)22-21-12-16-14-7-3-2-6-13(14)10-11-18(16)23/h2-12,20,23H,1H3,(H,22,24)/b21-12+
InChIKeyZQALNKIFVKHAQU-CIAFOILYSA-N
XLogP3.35
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.35
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(methylamino)benzamide?
The IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(methylamino)benzamide (CID 135491084) is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(methylamino)benzamide.
What is the SMILES notation for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(methylamino)benzamide?
The canonical SMILES for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(methylamino)benzamide is CNc1ccccc1C(=O)N/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(methylamino)benzamide?
The InChIKey is ZQALNKIFVKHAQU-CIAFOILYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-20-17-9-5-4-8-15(17)19(24)22-21-12-16-14-7-3-2-6-13(14)10-11-18(16)23/h2-12,20,23H,1H3,(H,22,24)/b21-12+.
What are the key properties of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(methylamino)benzamide?
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(methylamino)benzamide has a molecular weight of 319.36 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(methylamino)benzamide is sourced from PubChem (CID 135491084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).