2-(1,6-dibromonaphthalen-2-yl)oxy-N-(1-phenylpropylideneamino)acetamide

C21H18Br2N2O2 — CID 3352601

IUPAC2-(1,6-dibromonaphthalen-2-yl)oxy-N-(1-phenylpropylideneamino)acetamide
SMILESCCC(=NNC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccccc1
InChIInChI=1S/C21H18Br2N2O2/c1-2-18(14-6-4-3-5-7-14)24-25-20(26)13-27-19-11-8-15-12-16(22)9-10-17(15)21(19)23/h3-12H,2,13H2,1H3,(H,25,26)
InChIKeyTXYCTNPIRJJKKQ-UHFFFAOYSA-N
MW490.20 g/mol
LogP5.67
Rot. Bonds6

About 2-(1,6-dibromonaphthalen-2-yl)oxy-N-(1-phenylpropylideneamino)acetamide

2-(1,6-dibromonaphthalen-2-yl)oxy-N-(1-phenylpropylideneamino)acetamide (PubChem CID 3352601) has the molecular formula C21H18Br2N2O2 and a molecular weight of 490.20 g/mol. Its IUPAC name is 2-(1,6-dibromonaphthalen-2-yl)oxy-N-(1-phenylpropylideneamino)acetamide.

Molecular Properties

Compound Name2-(1,6-dibromonaphthalen-2-yl)oxy-N-(1-phenylpropylideneamino)acetamide
PubChem CID3352601
Molecular FormulaC21H18Br2N2O2
Molecular Weight490.20 g/mol
Exact Mass487.97
IUPAC Name2-(1,6-dibromonaphthalen-2-yl)oxy-N-(1-phenylpropylideneamino)acetamide
SMILESCCC(=NNC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccccc1
InChIInChI=1S/C21H18Br2N2O2/c1-2-18(14-6-4-3-5-7-14)24-25-20(26)13-27-19-11-8-15-12-16(22)9-10-17(15)21(19)23/h3-12H,2,13H2,1H3,(H,25,26)
InChIKeyTXYCTNPIRJJKKQ-UHFFFAOYSA-N
XLogP5.67
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.20
LogP ≤ 55.67
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

2-(2,4-dibromophenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide
CID 6123990
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(2-hydroxyphenyl)methylideneamino]acetamide
CID 3350510
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135560539
2-(1-bromonaphthalen-2-yl)oxy-N-[(E)-butan-2-ylideneamino]acetamide
CID 7269676
2-(2-bromo-4-methoxyphenoxy)-N-(1-phenylpropylideneamino)acetamide
CID 4531701
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(2-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 3351605
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 3350513
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[[4-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3358158
2-(2,4-dibromophenoxy)-N-[(Z)-1-phenylpentylideneamino]acetamide
CID 6527293
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide
CID 3350497
2-(2,4-dibromophenoxy)-N-[(E)-1-phenylpentylideneamino]acetamide
CID 6123992
2-naphthalen-2-yloxy-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6534039

Frequently Asked Questions

What is the IUPAC name of 2-(1,6-dibromonaphthalen-2-yl)oxy-N-(1-phenylpropylideneamino)acetamide?
The IUPAC name of 2-(1,6-dibromonaphthalen-2-yl)oxy-N-(1-phenylpropylideneamino)acetamide (CID 3352601) is 2-(1,6-dibromonaphthalen-2-yl)oxy-N-(1-phenylpropylideneamino)acetamide.
What is the SMILES notation for 2-(1,6-dibromonaphthalen-2-yl)oxy-N-(1-phenylpropylideneamino)acetamide?
The canonical SMILES for 2-(1,6-dibromonaphthalen-2-yl)oxy-N-(1-phenylpropylideneamino)acetamide is CCC(=NNC(=O)COc1ccc2cc(Br)ccc2c1Br)c1ccccc1.
What is the InChIKey of 2-(1,6-dibromonaphthalen-2-yl)oxy-N-(1-phenylpropylideneamino)acetamide?
The InChIKey is TXYCTNPIRJJKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Br2N2O2/c1-2-18(14-6-4-3-5-7-14)24-25-20(26)13-27-19-11-8-15-12-16(22)9-10-17(15)21(19)23/h3-12H,2,13H2,1H3,(H,25,26).
What are the key properties of 2-(1,6-dibromonaphthalen-2-yl)oxy-N-(1-phenylpropylideneamino)acetamide?
2-(1,6-dibromonaphthalen-2-yl)oxy-N-(1-phenylpropylideneamino)acetamide has a molecular weight of 490.20 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,6-dibromonaphthalen-2-yl)oxy-N-(1-phenylpropylideneamino)acetamide is sourced from PubChem (CID 3352601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).