N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide

C19H16BrN3O2 — CID 135420039

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
SMILESO=C(CNc1cccc2ccccc12)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C19H16BrN3O2/c20-15-8-9-18(24)14(10-15)11-22-23-19(25)12-21-17-7-3-5-13-4-1-2-6-16(13)17/h1-11,21,24H,12H2,(H,23,25)/b22-11+
InChIKeyYCDSJVAHERUADA-SSDVNMTOSA-N
MW398.26 g/mol
LogP3.87
Rot. Bonds5

About N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide (PubChem CID 135420039) has the molecular formula C19H16BrN3O2 and a molecular weight of 398.26 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
PubChem CID135420039
Molecular FormulaC19H16BrN3O2
Molecular Weight398.26 g/mol
Exact Mass397.04
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
SMILESO=C(CNc1cccc2ccccc12)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C19H16BrN3O2/c20-15-8-9-18(24)14(10-15)11-22-23-19(25)12-21-17-7-3-5-13-4-1-2-6-16(13)17/h1-11,21,24H,12H2,(H,23,25)/b22-11+
InChIKeyYCDSJVAHERUADA-SSDVNMTOSA-N
XLogP3.87
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 53.87
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

N'-(3,5-dibromo-2,4-dihydroxybenzylidene)-2-(naphthalen-2-ylamino)acetohydrazide
CID 135476586
CFTR Inhibitor II, GlyH-101
CID 136218970
2-anilino-N'-[(1E)-(2-hydroxy-1-naphthyl)methylene]acetohydrazide
CID 135699116
N'-[(1E)-(3-allyl-2-hydroxyphenyl)methylene]-2-(1-naphthylamino)acetohydrazide
CID 135420093
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 135676105
N'-[(E)-(2,4-Dihydroxyphenyl)methylidene]-2-[(naphthalen-2-YL)amino]acetohydrazide
CID 135420055
2-(2-(3-Hydroxybenzylidene)hydrazino)-N-(1-naphthyl)-2-oxoacetamide
CID 51060528
2-(2-(2-(Benzyloxy)-5-bromobenzylidene)hydrazino)-N-(1-naphthyl)-2-oxoacetamide
CID 51060582
2-(2-(5-BR-2-(2-Propynyloxy)benzylidene)hydrazino)-N-(1-naphthyl)-2-oxoacetamide
CID 51060649
2-(2-((2-Hydroxy-1-naphthyl)methylene)hydrazino)-N-(1-naphthyl)-2-oxoacetamide
CID 135592770
2-(2-(5-Bromo-2-hydroxybenzylidene)hydrazino)-2-oxo-N-phenylacetamide
CID 135606781
2-(2-(5-Bromo-2-hydroxybenzylidene)hydrazino)-N-(1-naphthyl)-2-oxoacetamide
CID 135716947

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide (CID 135420039) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide is O=C(CNc1cccc2ccccc12)N/N=C/c1cc(Br)ccc1O.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
The InChIKey is YCDSJVAHERUADA-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H16BrN3O2/c20-15-8-9-18(24)14(10-15)11-22-23-19(25)12-21-17-7-3-5-13-4-1-2-6-16(13)17/h1-11,21,24H,12H2,(H,23,25)/b22-11+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide has a molecular weight of 398.26 g/mol, XLogP of 3.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide is sourced from PubChem (CID 135420039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).