N-[(E)-(3-bromophenyl)methylideneamino]-2-naphthalen-1-ylacetamide

C19H15BrN2O — CID 5340905

IUPACN-[(E)-(3-bromophenyl)methylideneamino]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)N/N=C/c1cccc(Br)c1
InChIInChI=1S/C19H15BrN2O/c20-17-9-3-5-14(11-17)13-21-22-19(23)12-16-8-4-7-15-6-1-2-10-18(15)16/h1-11,13H,12H2,(H,22,23)/b21-13+
InChIKeyVCKXMLVXBKZRED-FYJGNVAPSA-N
MW367.25 g/mol
LogP4.30
Rot. Bonds4

About N-[(E)-(3-bromophenyl)methylideneamino]-2-naphthalen-1-ylacetamide

N-[(E)-(3-bromophenyl)methylideneamino]-2-naphthalen-1-ylacetamide (PubChem CID 5340905) has the molecular formula C19H15BrN2O and a molecular weight of 367.25 g/mol. Its IUPAC name is N-[(E)-(3-bromophenyl)methylideneamino]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(E)-(3-bromophenyl)methylideneamino]-2-naphthalen-1-ylacetamide
PubChem CID5340905
Molecular FormulaC19H15BrN2O
Molecular Weight367.25 g/mol
Exact Mass366.04
IUPAC NameN-[(E)-(3-bromophenyl)methylideneamino]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)N/N=C/c1cccc(Br)c1
InChIInChI=1S/C19H15BrN2O/c20-17-9-3-5-14(11-17)13-21-22-19(23)12-16-8-4-7-15-6-1-2-10-18(15)16/h1-11,13H,12H2,(H,22,23)/b21-13+
InChIKeyVCKXMLVXBKZRED-FYJGNVAPSA-N
XLogP4.30
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(E)-(3-bromophenyl)methylideneamino]propanediamide
CID 6894427
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 5457961
N,N'-bis[(3-bromophenyl)methylideneamino]butanediamide
CID 3105341
2-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5394055
N-[(E)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide
CID 5334797
N-[(5-bromo-1H-indol-3-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 5074421
N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 3588313
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 1368568
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 6163037
methyl 4-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]benzoate
CID 5393689
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 98005141
N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 4084520

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromophenyl)methylideneamino]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[(E)-(3-bromophenyl)methylideneamino]-2-naphthalen-1-ylacetamide (CID 5340905) is N-[(E)-(3-bromophenyl)methylideneamino]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(E)-(3-bromophenyl)methylideneamino]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(E)-(3-bromophenyl)methylideneamino]-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)N/N=C/c1cccc(Br)c1.
What is the InChIKey of N-[(E)-(3-bromophenyl)methylideneamino]-2-naphthalen-1-ylacetamide?
The InChIKey is VCKXMLVXBKZRED-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H15BrN2O/c20-17-9-3-5-14(11-17)13-21-22-19(23)12-16-8-4-7-15-6-1-2-10-18(15)16/h1-11,13H,12H2,(H,22,23)/b21-13+.
What are the key properties of N-[(E)-(3-bromophenyl)methylideneamino]-2-naphthalen-1-ylacetamide?
N-[(E)-(3-bromophenyl)methylideneamino]-2-naphthalen-1-ylacetamide has a molecular weight of 367.25 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-bromophenyl)methylideneamino]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 5340905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).