N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide

C19H16N2O2 — CID 135407190

IUPACN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C19H16N2O2/c1-13-6-8-15(9-7-13)19(23)21-20-12-17-16-5-3-2-4-14(16)10-11-18(17)22/h2-12,22H,1H3,(H,21,23)/b20-12+
InChIKeyKLWGWMIYMVGVJR-UDWIEESQSA-N
MW304.35 g/mol
LogP3.62
Rot. Bonds3

About N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide (PubChem CID 135407190) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide
PubChem CID135407190
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C19H16N2O2/c1-13-6-8-15(9-7-13)19(23)21-20-12-17-16-5-3-2-4-14(16)10-11-18(17)22/h2-12,22H,1H3,(H,21,23)/b20-12+
InChIKeyKLWGWMIYMVGVJR-UDWIEESQSA-N
XLogP3.62
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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]-4-methylbenzamide?
The IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide (CID 135407190) is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide.
What is the SMILES notation for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide?
The canonical SMILES for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide is Cc1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1.
What is the InChIKey of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide?
The InChIKey is KLWGWMIYMVGVJR-UDWIEESQSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-13-6-8-15(9-7-13)19(23)21-20-12-17-16-5-3-2-4-14(16)10-11-18(17)22/h2-12,22H,1H3,(H,21,23)/b20-12+.
What are the key properties of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide?
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide has a molecular weight of 304.35 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide is sourced from PubChem (CID 135407190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).