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

C18H15N3O2 — CID 135770382

IUPAC2-amino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
SMILESNc1ccccc1C(=O)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C18H15N3O2/c19-16-8-4-3-7-14(16)18(23)21-20-11-15-13-6-2-1-5-12(13)9-10-17(15)22/h1-11,22H,19H2,(H,21,23)/b20-11+
InChIKeyNFMZNLOLRGYQJB-RGVLZGJSSA-N
MW305.34 g/mol
LogP2.89
Rot. Bonds3

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

2-amino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide (PubChem CID 135770382) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-amino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-amino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
PubChem CID135770382
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name2-amino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
SMILESNc1ccccc1C(=O)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C18H15N3O2/c19-16-8-4-3-7-14(16)18(23)21-20-11-15-13-6-2-1-5-12(13)9-10-17(15)22/h1-11,22H,19H2,(H,21,23)/b20-11+
InChIKeyNFMZNLOLRGYQJB-RGVLZGJSSA-N
XLogP2.89
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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

4-bromo-2-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 136759632
2,4-dihydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135688483
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135400287
N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 2643236
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 135491092
2-amino-N-[(E)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide
CID 21370937
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 172961658
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide
CID 135616078
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide
CID 135472549

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The IUPAC name of 2-amino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide (CID 135770382) is 2-amino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-amino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The canonical SMILES for 2-amino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide is Nc1ccccc1C(=O)N/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of 2-amino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The InChIKey is NFMZNLOLRGYQJB-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H15N3O2/c19-16-8-4-3-7-14(16)18(23)21-20-11-15-13-6-2-1-5-12(13)9-10-17(15)22/h1-11,22H,19H2,(H,21,23)/b20-11+.
What are the key properties of 2-amino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
2-amino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide has a molecular weight of 305.34 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide is sourced from PubChem (CID 135770382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).