2-(2-bromo-4-chlorophenoxy)-N-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide

C18H12Br2Cl2N4O5 — CID 3306540

IUPAC2-(2-bromo-4-chlorophenoxy)-N-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)Nc1nonc1NC(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C18H12Br2Cl2N4O5/c19-11-5-9(21)1-3-13(11)29-7-15(27)23-17-18(26-31-25-17)24-16(28)8-30-14-4-2-10(22)6-12(14)20/h1-6H,7-8H2,(H,23,25,27)(H,24,26,28)
InChIKeyNZXNEEQZJRBXKQ-UHFFFAOYSA-N
MW595.03 g/mol
LogP4.94
Rot. Bonds8

About 2-(2-bromo-4-chlorophenoxy)-N-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide

2-(2-bromo-4-chlorophenoxy)-N-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide (PubChem CID 3306540) has the molecular formula C18H12Br2Cl2N4O5 and a molecular weight of 595.03 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide
PubChem CID3306540
Molecular FormulaC18H12Br2Cl2N4O5
Molecular Weight595.03 g/mol
Exact Mass591.86
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)Nc1nonc1NC(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C18H12Br2Cl2N4O5/c19-11-5-9(21)1-3-13(11)29-7-15(27)23-17-18(26-31-25-17)24-16(28)8-30-14-4-2-10(22)6-12(14)20/h1-6H,7-8H2,(H,23,25,27)(H,24,26,28)
InChIKeyNZXNEEQZJRBXKQ-UHFFFAOYSA-N
XLogP4.94
TPSA115.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500595.03
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-[4-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenoxy]phenyl]acetamide
CID 5229732
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 29276938
2-(2-bromo-4-chlorophenoxy)-N-(2-fluorophenyl)acetamide
CID 2627508
2-(2-bromo-4-chlorophenoxy)-N-(3-bromophenyl)acetamide
CID 19202088
N-(4-amino-2-chlorophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 28510783
2-(2-bromo-4-chlorophenoxy)-N-(2-ethoxyphenyl)acetamide
CID 1367163
2-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 7708017
2-(2-bromo-4-chlorophenoxy)-N-(4-bromo-2-fluorophenyl)acetamide
CID 30795617
2-(2-bromo-4-chlorophenoxy)-N-(2-ethoxy-3-pyridinyl)acetamide
CID 34877130
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]acetic acid
CID 43091937
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 5229550
2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide
CID 965257

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide (CID 3306540) is 2-(2-bromo-4-chlorophenoxy)-N-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide is O=C(COc1ccc(Cl)cc1Br)Nc1nonc1NC(=O)COc1ccc(Cl)cc1Br.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide?
The InChIKey is NZXNEEQZJRBXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Br2Cl2N4O5/c19-11-5-9(21)1-3-13(11)29-7-15(27)23-17-18(26-31-25-17)24-16(28)8-30-14-4-2-10(22)6-12(14)20/h1-6H,7-8H2,(H,23,25,27)(H,24,26,28).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide?
2-(2-bromo-4-chlorophenoxy)-N-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide has a molecular weight of 595.03 g/mol, XLogP of 4.94, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 3306540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).