2-[3-bromo-1-[3-bromo-2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride

C24H14Br2Cl2O4 — CID 46856074

IUPAC2-[3-bromo-1-[3-bromo-2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride
SMILESO=C(Cl)COc1c(Br)cc2ccccc2c1-c1c(OCC(=O)Cl)c(Br)cc2ccccc12
InChIInChI=1S/C24H14Br2Cl2O4/c25-17-9-13-5-1-3-7-15(13)21(23(17)31-11-19(27)29)22-16-8-4-2-6-14(16)10-18(26)24(22)32-12-20(28)30/h1-10H,11-12H2
InChIKeyNSGYYOJZHSAWMY-UHFFFAOYSA-N
MW597.09 g/mol
LogP7.47
Rot. Bonds7

About 2-[3-bromo-1-[3-bromo-2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride

2-[3-bromo-1-[3-bromo-2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride (PubChem CID 46856074) has the molecular formula C24H14Br2Cl2O4 and a molecular weight of 597.09 g/mol. Its IUPAC name is 2-[3-bromo-1-[3-bromo-2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride.

Molecular Properties

Compound Name2-[3-bromo-1-[3-bromo-2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride
PubChem CID46856074
Molecular FormulaC24H14Br2Cl2O4
Molecular Weight597.09 g/mol
Exact Mass593.86
IUPAC Name2-[3-bromo-1-[3-bromo-2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride
SMILESO=C(Cl)COc1c(Br)cc2ccccc2c1-c1c(OCC(=O)Cl)c(Br)cc2ccccc12
InChIInChI=1S/C24H14Br2Cl2O4/c25-17-9-13-5-1-3-7-15(13)21(23(17)31-11-19(27)29)22-16-8-4-2-6-14(16)10-18(26)24(22)32-12-20(28)30/h1-10H,11-12H2
InChIKeyNSGYYOJZHSAWMY-UHFFFAOYSA-N
XLogP7.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.09
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride
CID 25112232
3-bromo-1-[3-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene;sulfane
CID 155819548
3-bromo-1-[3-bromo-2-[2-[2-[2-[2-[3-bromo-1-(3-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-ol
CID 66557323
[3-bromo-1-[3-bromo-2-(pyridine-2-carbonyloxy)naphthalen-1-yl]naphthalen-2-yl] pyridine-2-carboxylate
CID 101398891
[1-[2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl] carbonochloridate
CID 143840570
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide
CID 17096541
3-bromo-2-chlorophenanthrene
CID 166845355
2-bromonaphthalene-1-carbonyl chloride;ethane
CID 144648611
bromomethyl 2-(3-bromo-1-naphthalen-1-ylnaphthalen-2-yl)acetate
CID 175904411
N-(anthracen-9-ylmethylideneamino)-2-(2,6-dibromo-4-methoxyphenoxy)acetamide
CID 4540848
2-(2,6-dibromo-4-methylphenoxy)-1-phenylethanone
CID 8914654
1-(2,3-dibromonaphthalen-1-yl)naphthalen-2-ol
CID 67157613

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-1-[3-bromo-2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride?
The IUPAC name of 2-[3-bromo-1-[3-bromo-2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride (CID 46856074) is 2-[3-bromo-1-[3-bromo-2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride.
What is the SMILES notation for 2-[3-bromo-1-[3-bromo-2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride?
The canonical SMILES for 2-[3-bromo-1-[3-bromo-2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride is O=C(Cl)COc1c(Br)cc2ccccc2c1-c1c(OCC(=O)Cl)c(Br)cc2ccccc12.
What is the InChIKey of 2-[3-bromo-1-[3-bromo-2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride?
The InChIKey is NSGYYOJZHSAWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Br2Cl2O4/c25-17-9-13-5-1-3-7-15(13)21(23(17)31-11-19(27)29)22-16-8-4-2-6-14(16)10-18(26)24(22)32-12-20(28)30/h1-10H,11-12H2.
What are the key properties of 2-[3-bromo-1-[3-bromo-2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride?
2-[3-bromo-1-[3-bromo-2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride has a molecular weight of 597.09 g/mol, XLogP of 7.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-1-[3-bromo-2-(2-chloro-2-oxoethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyacetyl chloride is sourced from PubChem (CID 46856074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).