N-[(4-bromophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide

C19H15BrN2O2 — CID 3610097

IUPACN-[(4-bromophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)NN=Cc1ccc(Br)cc1
InChIInChI=1S/C19H15BrN2O2/c20-17-8-5-14(6-9-17)12-21-22-19(23)13-24-18-10-7-15-3-1-2-4-16(15)11-18/h1-12H,13H2,(H,22,23)
InChIKeyOBWXAPJKDLFCPM-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.13
Rot. Bonds5

About N-[(4-bromophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide

N-[(4-bromophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide (PubChem CID 3610097) has the molecular formula C19H15BrN2O2 and a molecular weight of 383.25 g/mol. Its IUPAC name is N-[(4-bromophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
PubChem CID3610097
Molecular FormulaC19H15BrN2O2
Molecular Weight383.25 g/mol
Exact Mass382.03
IUPAC NameN-[(4-bromophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)NN=Cc1ccc(Br)cc1
InChIInChI=1S/C19H15BrN2O2/c20-17-8-5-14(6-9-17)12-21-22-19(23)13-24-18-10-7-15-3-1-2-4-16(15)11-18/h1-12H,13H2,(H,22,23)
InChIKeyOBWXAPJKDLFCPM-UHFFFAOYSA-N
XLogP4.13
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

[4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 6047889
2-[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 3290188
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 1240410
2-naphthalen-2-yloxy-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 774635
2-(6-bromonaphthalen-2-yl)oxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 164664824
N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 19183113
2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 5427428
2-(4-methylphenoxy)-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 5401746
[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 4145700
[4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 6020754
2-(4-bromophenoxy)-N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]acetamide
CID 136749235
2-(4-bromophenoxy)-N-[(Z)-(4-butoxyphenyl)methylideneamino]acetamide
CID 6043296

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[(4-bromophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide (CID 3610097) is N-[(4-bromophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[(4-bromophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[(4-bromophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide is O=C(COc1ccc2ccccc2c1)NN=Cc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide?
The InChIKey is OBWXAPJKDLFCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O2/c20-17-8-5-14(6-9-17)12-21-22-19(23)13-24-18-10-7-15-3-1-2-4-16(15)11-18/h1-12H,13H2,(H,22,23).
What are the key properties of N-[(4-bromophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide?
N-[(4-bromophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide has a molecular weight of 383.25 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 3610097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).