N-(2-bromophenyl)-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide

C18H12Br3NO2 — CID 3250022

IUPACN-(2-bromophenyl)-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide
SMILESO=C(COc1ccc2cc(Br)ccc2c1Br)Nc1ccccc1Br
InChIInChI=1S/C18H12Br3NO2/c19-12-6-7-13-11(9-12)5-8-16(18(13)21)24-10-17(23)22-15-4-2-1-3-14(15)20/h1-9H,10H2,(H,22,23)
InChIKeyOYOVSFUNRHFMBJ-UHFFFAOYSA-N
MW514.01 g/mol
LogP6.14
Rot. Bonds4

About N-(2-bromophenyl)-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide

N-(2-bromophenyl)-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide (PubChem CID 3250022) has the molecular formula C18H12Br3NO2 and a molecular weight of 514.01 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide
PubChem CID3250022
Molecular FormulaC18H12Br3NO2
Molecular Weight514.01 g/mol
Exact Mass510.84
IUPAC NameN-(2-bromophenyl)-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide
SMILESO=C(COc1ccc2cc(Br)ccc2c1Br)Nc1ccccc1Br
InChIInChI=1S/C18H12Br3NO2/c19-12-6-7-13-11(9-12)5-8-16(18(13)21)24-10-17(23)22-15-4-2-1-3-14(15)20/h1-9H,10H2,(H,22,23)
InChIKeyOYOVSFUNRHFMBJ-UHFFFAOYSA-N
XLogP6.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.01
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,6-dibromonaphthalen-2-yl)oxy-N-(2,4-dichlorophenyl)acetamide
CID 3380159
2-(1,6-dibromonaphthalen-2-yl)oxy-N-(4-methoxyphenyl)acetamide
CID 3326030
N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 1300372
2-(1-bromonaphthalen-2-yl)oxy-N-(2-chlorophenyl)acetamide
CID 1010729
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-(2-methoxyphenyl)acetamide
CID 7642319
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[[4-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3358158
N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetohydrazide
CID 3335299
2-(1-bromonaphthalen-2-yl)oxy-N-(2,3-dimethylphenyl)acetamide
CID 1299627
2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-(2-bromophenyl)acetamide
CID 63052653
2-(1,6-dibromonaphthalen-2-yl)oxy-N-(1-phenylpropylideneamino)acetamide
CID 3352601

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide?
The IUPAC name of N-(2-bromophenyl)-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide (CID 3250022) is N-(2-bromophenyl)-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide is O=C(COc1ccc2cc(Br)ccc2c1Br)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide?
The InChIKey is OYOVSFUNRHFMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Br3NO2/c19-12-6-7-13-11(9-12)5-8-16(18(13)21)24-10-17(23)22-15-4-2-1-3-14(15)20/h1-9H,10H2,(H,22,23).
What are the key properties of N-(2-bromophenyl)-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide?
N-(2-bromophenyl)-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide has a molecular weight of 514.01 g/mol, XLogP of 6.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide is sourced from PubChem (CID 3250022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).