2-(4-bromo-3-methylphenoxy)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide

C19H19BrN2O2 — CID 6528002

IUPAC2-(4-bromo-3-methylphenoxy)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide
SMILESCc1cc(OCC(=O)N/N=C2/CCCc3ccccc32)ccc1Br
InChIInChI=1S/C19H19BrN2O2/c1-13-11-15(9-10-17(13)20)24-12-19(23)22-21-18-8-4-6-14-5-2-3-7-16(14)18/h2-3,5,7,9-11H,4,6,8,12H2,1H3,(H,22,23)/b21-18-
InChIKeyICMBVGFLGGUFBX-UZYVYHOESA-N
MW387.28 g/mol
LogP3.99
Rot. Bonds4

About 2-(4-bromo-3-methylphenoxy)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide

2-(4-bromo-3-methylphenoxy)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide (PubChem CID 6528002) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenoxy)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenoxy)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide
PubChem CID6528002
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name2-(4-bromo-3-methylphenoxy)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide
SMILESCc1cc(OCC(=O)N/N=C2/CCCc3ccccc32)ccc1Br
InChIInChI=1S/C19H19BrN2O2/c1-13-11-15(9-10-17(13)20)24-12-19(23)22-21-18-8-4-6-14-5-2-3-7-16(14)18/h2-3,5,7,9-11H,4,6,8,12H2,1H3,(H,22,23)/b21-18-
InChIKeyICMBVGFLGGUFBX-UZYVYHOESA-N
XLogP3.99
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 53.99
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

N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(3-methylphenoxy)acetamide
CID 968541
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-naphthalen-2-yloxyacetamide
CID 968751
2-(4-bromo-2-methylphenoxy)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide
CID 6117426
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide
CID 5191870
N-[(E)-2,3-dihydroinden-1-ylideneamino]-2-naphthalen-2-yloxyacetamide
CID 46662511
2-(4-bromo-2-chlorophenoxy)-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)acetamide
CID 4632205
2-(4-tert-butylphenoxy)-N-[(Z)-2,3-dihydroinden-1-ylideneamino]acetamide
CID 7929753
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-propan-2-ylphenoxy)acetamide
CID 922588
N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2-(4-fluorophenoxy)acetamide
CID 6035258
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-phenylacetamide
CID 5395791
2-(4-bromo-3-methylphenoxy)-N-[(Z)-(3,3-dimethyl-5-oxocyclohexylidene)amino]acetamide
CID 6130309
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]hexanamide
CID 6031534

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenoxy)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide?
The IUPAC name of 2-(4-bromo-3-methylphenoxy)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide (CID 6528002) is 2-(4-bromo-3-methylphenoxy)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromo-3-methylphenoxy)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide?
The canonical SMILES for 2-(4-bromo-3-methylphenoxy)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide is Cc1cc(OCC(=O)N/N=C2/CCCc3ccccc32)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylphenoxy)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide?
The InChIKey is ICMBVGFLGGUFBX-UZYVYHOESA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-13-11-15(9-10-17(13)20)24-12-19(23)22-21-18-8-4-6-14-5-2-3-7-16(14)18/h2-3,5,7,9-11H,4,6,8,12H2,1H3,(H,22,23)/b21-18-.
What are the key properties of 2-(4-bromo-3-methylphenoxy)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide?
2-(4-bromo-3-methylphenoxy)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide has a molecular weight of 387.28 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenoxy)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide is sourced from PubChem (CID 6528002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).