2-(4-bromo-2-nitrophenoxy)-N-[1-(5-bromothiophen-2-yl)ethylideneamino]acetamide

C14H11Br2N3O4S — CID 2835488

IUPAC2-(4-bromo-2-nitrophenoxy)-N-[1-(5-bromothiophen-2-yl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)COc1ccc(Br)cc1[N+](=O)[O-])c1ccc(Br)s1
InChIInChI=1S/C14H11Br2N3O4S/c1-8(12-4-5-13(16)24-12)17-18-14(20)7-23-11-3-2-9(15)6-10(11)19(21)22/h2-6H,7H2,1H3,(H,18,20)
InChIKeyAVEKIQQPDZODOE-UHFFFAOYSA-N
MW477.13 g/mol
LogP4.10
Rot. Bonds6

About 2-(4-bromo-2-nitrophenoxy)-N-[1-(5-bromothiophen-2-yl)ethylideneamino]acetamide

2-(4-bromo-2-nitrophenoxy)-N-[1-(5-bromothiophen-2-yl)ethylideneamino]acetamide (PubChem CID 2835488) has the molecular formula C14H11Br2N3O4S and a molecular weight of 477.13 g/mol. Its IUPAC name is 2-(4-bromo-2-nitrophenoxy)-N-[1-(5-bromothiophen-2-yl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-nitrophenoxy)-N-[1-(5-bromothiophen-2-yl)ethylideneamino]acetamide
PubChem CID2835488
Molecular FormulaC14H11Br2N3O4S
Molecular Weight477.13 g/mol
Exact Mass474.88
IUPAC Name2-(4-bromo-2-nitrophenoxy)-N-[1-(5-bromothiophen-2-yl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)COc1ccc(Br)cc1[N+](=O)[O-])c1ccc(Br)s1
InChIInChI=1S/C14H11Br2N3O4S/c1-8(12-4-5-13(16)24-12)17-18-14(20)7-23-11-3-2-9(15)6-10(11)19(21)22/h2-6H,7H2,1H3,(H,18,20)
InChIKeyAVEKIQQPDZODOE-UHFFFAOYSA-N
XLogP4.10
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.13
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7761399
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9316947
N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6176429
2-(4-bromo-2-nitrophenoxy)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide
CID 41270248
N-[1-(3-bromophenyl)ethylideneamino]-2-[2-nitro-4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 3130890
2-(4-methyl-2-nitrophenoxy)-N-(1-phenylethylideneamino)acetamide
CID 758143
N-[1-(furan-2-yl)ethylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 2833196
2-(2-nitrophenoxy)-N-[(Z)-1-(2,4,5-trimethylphenyl)ethylideneamino]acetamide
CID 9466938
2-(4-bromo-2-nitrophenoxy)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 1381696
2-(4-bromo-2-nitrophenoxy)-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide
CID 136802325
N-[(Z)-1-(2-methylphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 9466904
2-(4-bromo-2-nitrophenoxy)-N-[(E)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135613874

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-nitrophenoxy)-N-[1-(5-bromothiophen-2-yl)ethylideneamino]acetamide?
The IUPAC name of 2-(4-bromo-2-nitrophenoxy)-N-[1-(5-bromothiophen-2-yl)ethylideneamino]acetamide (CID 2835488) is 2-(4-bromo-2-nitrophenoxy)-N-[1-(5-bromothiophen-2-yl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromo-2-nitrophenoxy)-N-[1-(5-bromothiophen-2-yl)ethylideneamino]acetamide?
The canonical SMILES for 2-(4-bromo-2-nitrophenoxy)-N-[1-(5-bromothiophen-2-yl)ethylideneamino]acetamide is CC(=NNC(=O)COc1ccc(Br)cc1[N+](=O)[O-])c1ccc(Br)s1.
What is the InChIKey of 2-(4-bromo-2-nitrophenoxy)-N-[1-(5-bromothiophen-2-yl)ethylideneamino]acetamide?
The InChIKey is AVEKIQQPDZODOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2N3O4S/c1-8(12-4-5-13(16)24-12)17-18-14(20)7-23-11-3-2-9(15)6-10(11)19(21)22/h2-6H,7H2,1H3,(H,18,20).
What are the key properties of 2-(4-bromo-2-nitrophenoxy)-N-[1-(5-bromothiophen-2-yl)ethylideneamino]acetamide?
2-(4-bromo-2-nitrophenoxy)-N-[1-(5-bromothiophen-2-yl)ethylideneamino]acetamide has a molecular weight of 477.13 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-nitrophenoxy)-N-[1-(5-bromothiophen-2-yl)ethylideneamino]acetamide is sourced from PubChem (CID 2835488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).