N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide

C17H13Br2N3O2 — CID 6886154

IUPACN-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
SMILESO=C(CNc1ccc2ccccc2c1)N/N=C/c1cc(Br)c(Br)o1
InChIInChI=1S/C17H13Br2N3O2/c18-15-8-14(24-17(15)19)9-21-22-16(23)10-20-13-6-5-11-3-1-2-4-12(11)7-13/h1-9,20H,10H2,(H,22,23)/b21-9+
InChIKeyVDTDSODNMJNFHT-ZVBGSRNCSA-N
MW451.12 g/mol
LogP4.52
Rot. Bonds5

About N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide

N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide (PubChem CID 6886154) has the molecular formula C17H13Br2N3O2 and a molecular weight of 451.12 g/mol. Its IUPAC name is N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
PubChem CID6886154
Molecular FormulaC17H13Br2N3O2
Molecular Weight451.12 g/mol
Exact Mass448.94
IUPAC NameN-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
SMILESO=C(CNc1ccc2ccccc2c1)N/N=C/c1cc(Br)c(Br)o1
InChIInChI=1S/C17H13Br2N3O2/c18-15-8-14(24-17(15)19)9-21-22-16(23)10-20-13-6-5-11-3-1-2-4-12(11)7-13/h1-9,20H,10H2,(H,22,23)/b21-9+
InChIKeyVDTDSODNMJNFHT-ZVBGSRNCSA-N
XLogP4.52
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.12
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 1268496
N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 71066400
N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-phenylacetamide
CID 5332613
sodium 5-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
CID 171151497
2-(anthracen-2-ylamino)-N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide
CID 59770955
N-[(E)-(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 171979594
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 135473296
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 687876
4-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]benzoate
CID 4623297
N-[(4,5-dibromofuran-2-yl)methylideneamino]quinoline-2-carboxamide
CID 2311190
[2,4-dibromo-6-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6286095
N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 6897391

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide?
The IUPAC name of N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide (CID 6886154) is N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide.
What is the SMILES notation for N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide?
The canonical SMILES for N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide is O=C(CNc1ccc2ccccc2c1)N/N=C/c1cc(Br)c(Br)o1.
What is the InChIKey of N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide?
The InChIKey is VDTDSODNMJNFHT-ZVBGSRNCSA-N. The full InChI is InChI=1S/C17H13Br2N3O2/c18-15-8-14(24-17(15)19)9-21-22-16(23)10-20-13-6-5-11-3-1-2-4-12(11)7-13/h1-9,20H,10H2,(H,22,23)/b21-9+.
What are the key properties of N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide?
N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide has a molecular weight of 451.12 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide is sourced from PubChem (CID 6886154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).