2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]acetamide

C13H9Br2ClN2O2S — CID 6091566

IUPAC2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)N/N=C\c1cc(Br)cs1
InChIInChI=1S/C13H9Br2ClN2O2S/c14-8-3-10(21-7-8)5-17-18-13(19)6-20-12-2-1-9(16)4-11(12)15/h1-5,7H,6H2,(H,18,19)/b17-5-
InChIKeyPOTOYSIRGHHTDI-ZWSORDCHSA-N
MW452.56 g/mol
LogP4.46
Rot. Bonds5

About 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]acetamide

2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]acetamide (PubChem CID 6091566) has the molecular formula C13H9Br2ClN2O2S and a molecular weight of 452.56 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]acetamide
PubChem CID6091566
Molecular FormulaC13H9Br2ClN2O2S
Molecular Weight452.56 g/mol
Exact Mass449.84
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]acetamide
SMILESO=C(COc1ccc(Cl)cc1Br)N/N=C\c1cc(Br)cs1
InChIInChI=1S/C13H9Br2ClN2O2S/c14-8-3-10(21-7-8)5-17-18-13(19)6-20-12-2-1-9(16)4-11(12)15/h1-5,7H,6H2,(H,18,19)/b17-5-
InChIKeyPOTOYSIRGHHTDI-ZWSORDCHSA-N
XLogP4.46
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-bromo-4-chlorophenoxy)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 135678479
2-(2-bromo-4-chlorophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135479274
2-(2-bromo-4-chlorophenoxy)-N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 135699251
2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethylideneamino)acetamide
CID 4152821
N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 42995414
2-(2-bromo-4-chlorophenoxy)-N-[(4-chloro-3-methoxyphenyl)methylideneamino]acetamide
CID 1138563
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7728221
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 5448376
2-(2-bromo-4-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 4925945
2-(2-bromo-4-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 4924477
2-(2-bromo-4-chlorophenoxy)-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]acetamide
CID 135614187
[4-bromo-2-[[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 3931534

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]acetamide (CID 6091566) is 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]acetamide is O=C(COc1ccc(Cl)cc1Br)N/N=C\c1cc(Br)cs1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]acetamide?
The InChIKey is POTOYSIRGHHTDI-ZWSORDCHSA-N. The full InChI is InChI=1S/C13H9Br2ClN2O2S/c14-8-3-10(21-7-8)5-17-18-13(19)6-20-12-2-1-9(16)4-11(12)15/h1-5,7H,6H2,(H,18,19)/b17-5-.
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]acetamide?
2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]acetamide has a molecular weight of 452.56 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 6091566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).