N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide

C19H15Br2N3O2 — CID 135420036

IUPACN-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
SMILESO=C(CNc1cccc2ccccc12)N/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C19H15Br2N3O2/c20-14-8-13(19(26)16(21)9-14)10-23-24-18(25)11-22-17-7-3-5-12-4-1-2-6-15(12)17/h1-10,22,26H,11H2,(H,24,25)/b23-10+
InChIKeyGEWOPZAOQFHGDI-AUEPDCJTSA-N
MW477.16 g/mol
LogP4.63
Rot. Bonds5

About N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide

N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide (PubChem CID 135420036) has the molecular formula C19H15Br2N3O2 and a molecular weight of 477.16 g/mol. Its IUPAC name is N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
PubChem CID135420036
Molecular FormulaC19H15Br2N3O2
Molecular Weight477.16 g/mol
Exact Mass474.95
IUPAC NameN-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
SMILESO=C(CNc1cccc2ccccc12)N/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C19H15Br2N3O2/c20-14-8-13(19(26)16(21)9-14)10-23-24-18(25)11-22-17-7-3-5-12-4-1-2-6-15(12)17/h1-10,22,26H,11H2,(H,24,25)/b23-10+
InChIKeyGEWOPZAOQFHGDI-AUEPDCJTSA-N
XLogP4.63
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.16
LogP ≤ 54.63
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

[2,4-dibromo-6-[[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 4658120
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 5457961
N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 3975909
N-[(Z)-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 126397310
N,N'-bis[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]heptanediamide
CID 136802008
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 135419703
N-[(2-hydroxyphenyl)methylideneamino]-2-(2,4,6-tribromoanilino)acetamide
CID 1246171
4-[[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]benzoate
CID 4983931
N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 3588313
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 4661365
2-[2-[(E)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 44725851
N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 135737263

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
The IUPAC name of N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide (CID 135420036) is N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide.
What is the SMILES notation for N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
The canonical SMILES for N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide is O=C(CNc1cccc2ccccc12)N/N=C/c1cc(Br)cc(Br)c1O.
What is the InChIKey of N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
The InChIKey is GEWOPZAOQFHGDI-AUEPDCJTSA-N. The full InChI is InChI=1S/C19H15Br2N3O2/c20-14-8-13(19(26)16(21)9-14)10-23-24-18(25)11-22-17-7-3-5-12-4-1-2-6-15(12)17/h1-10,22,26H,11H2,(H,24,25)/b23-10+.
What are the key properties of N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide?
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide has a molecular weight of 477.16 g/mol, XLogP of 4.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide is sourced from PubChem (CID 135420036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).