N-[(E)-(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide

C18H15BrN2O3 — CID 171979594

IUPACN-[(E)-(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide
SMILESCc1oc(/C=N/NC(=O)COc2ccc3ccccc3c2)cc1Br
InChIInChI=1S/C18H15BrN2O3/c1-12-17(19)9-16(24-12)10-20-21-18(22)11-23-15-7-6-13-4-2-3-5-14(13)8-15/h2-10H,11H2,1H3,(H,21,22)/b20-10+
InChIKeyDASKFYFSOXKFIR-KEBDBYFISA-N
MW387.23 g/mol
LogP4.03
Rot. Bonds5

About N-[(E)-(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide

N-[(E)-(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide (PubChem CID 171979594) has the molecular formula C18H15BrN2O3 and a molecular weight of 387.23 g/mol. Its IUPAC name is N-[(E)-(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(E)-(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide
PubChem CID171979594
Molecular FormulaC18H15BrN2O3
Molecular Weight387.23 g/mol
Exact Mass386.03
IUPAC NameN-[(E)-(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide
SMILESCc1oc(/C=N/NC(=O)COc2ccc3ccccc3c2)cc1Br
InChIInChI=1S/C18H15BrN2O3/c1-12-17(19)9-16(24-12)10-20-21-18(22)11-23-15-7-6-13-4-2-3-5-14(13)8-15/h2-10H,11H2,1H3,(H,21,22)/b20-10+
InChIKeyDASKFYFSOXKFIR-KEBDBYFISA-N
XLogP4.03
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 54.03
H-Bond Donors ≤ 51
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-[(Z)-furan-2-ylmethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 5405073
N-[(4-bromophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 3610097
N-[(Z)-(2-methylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 5428266
N-[(2,4-dimethylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 917804
N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 6005253
2-[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 3290188
2-naphthalen-2-yloxy-N-(pyridin-2-ylmethylideneamino)acetamide
CID 826768
2-(4-methylphenoxy)-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 5401746
N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 6886154
N-[(5-methylfuran-2-yl)methylideneamino]-2-phenoxyacetamide
CID 913599
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 1240410
N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 19183113

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[(E)-(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide (CID 171979594) is N-[(E)-(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[(E)-(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[(E)-(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide is Cc1oc(/C=N/NC(=O)COc2ccc3ccccc3c2)cc1Br.
What is the InChIKey of N-[(E)-(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide?
The InChIKey is DASKFYFSOXKFIR-KEBDBYFISA-N. The full InChI is InChI=1S/C18H15BrN2O3/c1-12-17(19)9-16(24-12)10-20-21-18(22)11-23-15-7-6-13-4-2-3-5-14(13)8-15/h2-10H,11H2,1H3,(H,21,22)/b20-10+.
What are the key properties of N-[(E)-(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide?
N-[(E)-(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide has a molecular weight of 387.23 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 171979594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).