2-(4-aminophenyl)-N-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]acetamide

C19H16BrN3O2 — CID 136789381

IUPAC2-(4-aminophenyl)-N-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
SMILESNc1ccc(CC(=O)N/N=C\c2c(O)ccc3cc(Br)ccc23)cc1
InChIInChI=1S/C19H16BrN3O2/c20-14-4-7-16-13(10-14)3-8-18(24)17(16)11-22-23-19(25)9-12-1-5-15(21)6-2-12/h1-8,10-11,24H,9,21H2,(H,23,25)/b22-11-
InChIKeyYYEXLLLUWHZBIE-JJFYIABZSA-N
MW398.26 g/mol
LogP3.58
Rot. Bonds4

About 2-(4-aminophenyl)-N-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]acetamide

2-(4-aminophenyl)-N-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]acetamide (PubChem CID 136789381) has the molecular formula C19H16BrN3O2 and a molecular weight of 398.26 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
PubChem CID136789381
Molecular FormulaC19H16BrN3O2
Molecular Weight398.26 g/mol
Exact Mass397.04
IUPAC Name2-(4-aminophenyl)-N-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
SMILESNc1ccc(CC(=O)N/N=C\c2c(O)ccc3cc(Br)ccc23)cc1
InChIInChI=1S/C19H16BrN3O2/c20-14-4-7-16-13(10-14)3-8-18(24)17(16)11-22-23-19(25)9-12-1-5-15(21)6-2-12/h1-8,10-11,24H,9,21H2,(H,23,25)/b22-11-
InChIKeyYYEXLLLUWHZBIE-JJFYIABZSA-N
XLogP3.58
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', '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

N-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide
CID 136786921
2-(4-bromoanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 136663445
4-bromo-2-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 136759632
2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 136802210
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
2-(4-bromophenyl)-N-[(E)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide
CID 135579434
2-(4-aminophenyl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 136789368
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 135627954
2-(4-aminophenyl)-N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 110515083
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide
CID 135616078
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 172961658
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide
CID 3350497

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]acetamide (CID 136789381) is 2-(4-aminophenyl)-N-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]acetamide is Nc1ccc(CC(=O)N/N=C\c2c(O)ccc3cc(Br)ccc23)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The InChIKey is YYEXLLLUWHZBIE-JJFYIABZSA-N. The full InChI is InChI=1S/C19H16BrN3O2/c20-14-4-7-16-13(10-14)3-8-18(24)17(16)11-22-23-19(25)9-12-1-5-15(21)6-2-12/h1-8,10-11,24H,9,21H2,(H,23,25)/b22-11-.
What are the key properties of 2-(4-aminophenyl)-N-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
2-(4-aminophenyl)-N-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]acetamide has a molecular weight of 398.26 g/mol, XLogP of 3.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]acetamide is sourced from PubChem (CID 136789381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).