2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide

C23H17BrN2O2 — CID 136802210

IUPAC2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
SMILESO=C(Cc1ccc(Br)c2ccccc12)N/N=C\c1c(O)ccc2ccccc12
InChIInChI=1S/C23H17BrN2O2/c24-21-11-9-16(18-7-3-4-8-19(18)21)13-23(28)26-25-14-20-17-6-2-1-5-15(17)10-12-22(20)27/h1-12,14,27H,13H2,(H,26,28)/b25-14-
InChIKeyUZGHCUUCYZZUMN-QFEZKATASA-N
MW433.31 g/mol
LogP5.15
Rot. Bonds4

About 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide

2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide (PubChem CID 136802210) has the molecular formula C23H17BrN2O2 and a molecular weight of 433.31 g/mol. Its IUPAC name is 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
PubChem CID136802210
Molecular FormulaC23H17BrN2O2
Molecular Weight433.31 g/mol
Exact Mass432.05
IUPAC Name2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
SMILESO=C(Cc1ccc(Br)c2ccccc12)N/N=C\c1c(O)ccc2ccccc12
InChIInChI=1S/C23H17BrN2O2/c24-21-11-9-16(18-7-3-4-8-19(18)21)13-23(28)26-25-14-20-17-6-2-1-5-15(17)10-12-22(20)27/h1-12,14,27H,13H2,(H,26,28)/b25-14-
InChIKeyUZGHCUUCYZZUMN-QFEZKATASA-N
XLogP5.15
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.31
LogP ≤ 55.15
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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Related Compounds

2-(4-bromonaphthalen-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135479555
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
2-(4-bromonaphthalen-1-yl)-N-[(2,4-dihydroxy-6-methylphenyl)methylideneamino]acetamide
CID 4035780
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide
CID 135616078
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 172961658
2-(2,4-dimethylphenyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 137258704
N,N'-bis[(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide
CID 3500050
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-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 135491092
2-(4-bromonaphthalen-1-yl)-N-[(E)-(5-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
CID 135479558
2-(4-bromonaphthalen-1-yl)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135420112

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The IUPAC name of 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide (CID 136802210) is 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide is O=C(Cc1ccc(Br)c2ccccc12)N/N=C\c1c(O)ccc2ccccc12.
What is the InChIKey of 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
The InChIKey is UZGHCUUCYZZUMN-QFEZKATASA-N. The full InChI is InChI=1S/C23H17BrN2O2/c24-21-11-9-16(18-7-3-4-8-19(18)21)13-23(28)26-25-14-20-17-6-2-1-5-15(17)10-12-22(20)27/h1-12,14,27H,13H2,(H,26,28)/b25-14-.
What are the key properties of 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide?
2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide has a molecular weight of 433.31 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide is sourced from PubChem (CID 136802210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).