2-(2-bromo-4-chlorophenoxy)-N-[(4-chloro-3-methoxyphenyl)methylideneamino]acetamide

C16H13BrCl2N2O3 — CID 1138563

IUPAC2-(2-bromo-4-chlorophenoxy)-N-[(4-chloro-3-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(C=NNC(=O)COc2ccc(Cl)cc2Br)ccc1Cl
InChIInChI=1S/C16H13BrCl2N2O3/c1-23-15-6-10(2-4-13(15)19)8-20-21-16(22)9-24-14-5-3-11(18)7-12(14)17/h2-8H,9H2,1H3,(H,21,22)
InChIKeyVXXJPZTVXBTMGY-UHFFFAOYSA-N
MW432.10 g/mol
LogP4.29
Rot. Bonds6

About 2-(2-bromo-4-chlorophenoxy)-N-[(4-chloro-3-methoxyphenyl)methylideneamino]acetamide

2-(2-bromo-4-chlorophenoxy)-N-[(4-chloro-3-methoxyphenyl)methylideneamino]acetamide (PubChem CID 1138563) has the molecular formula C16H13BrCl2N2O3 and a molecular weight of 432.10 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-[(4-chloro-3-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-[(4-chloro-3-methoxyphenyl)methylideneamino]acetamide
PubChem CID1138563
Molecular FormulaC16H13BrCl2N2O3
Molecular Weight432.10 g/mol
Exact Mass429.95
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-[(4-chloro-3-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(C=NNC(=O)COc2ccc(Cl)cc2Br)ccc1Cl
InChIInChI=1S/C16H13BrCl2N2O3/c1-23-15-6-10(2-4-13(15)19)8-20-21-16(22)9-24-14-5-3-11(18)7-12(14)17/h2-8H,9H2,1H3,(H,21,22)
InChIKeyVXXJPZTVXBTMGY-UHFFFAOYSA-N
XLogP4.29
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.10
LogP ≤ 54.29
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

N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 5448376
2-(2,5-dichlorophenoxy)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 19189966
2-(2-bromo-4-chlorophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135479274
N-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 7332440
2-(4-chloro-2-methylphenoxy)-N-[(4-methoxy-3-methylphenyl)methylideneamino]acetamide
CID 4980388
2-(2-bromo-4-chlorophenoxy)-N-(furan-3-ylmethylideneamino)acetamide
CID 4152821
2-(4-bromo-2-chlorophenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135589008
[4-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 2-chlorobenzoate
CID 6302856
2-(2,5-dichlorophenoxy)-N-[(E)-(4-methylphenyl)methylideneamino]acetamide
CID 19189880
2-(2-chlorophenoxy)-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]acetamide
CID 8979030
2-(2,4-dibromophenoxy)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide
CID 19189995
2-(2-bromo-4-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 4924477

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[(4-chloro-3-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[(4-chloro-3-methoxyphenyl)methylideneamino]acetamide (CID 1138563) is 2-(2-bromo-4-chlorophenoxy)-N-[(4-chloro-3-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-[(4-chloro-3-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-[(4-chloro-3-methoxyphenyl)methylideneamino]acetamide is COc1cc(C=NNC(=O)COc2ccc(Cl)cc2Br)ccc1Cl.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-[(4-chloro-3-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is VXXJPZTVXBTMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrCl2N2O3/c1-23-15-6-10(2-4-13(15)19)8-20-21-16(22)9-24-14-5-3-11(18)7-12(14)17/h2-8H,9H2,1H3,(H,21,22).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-[(4-chloro-3-methoxyphenyl)methylideneamino]acetamide?
2-(2-bromo-4-chlorophenoxy)-N-[(4-chloro-3-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 432.10 g/mol, XLogP of 4.29, 6 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-[(4-chloro-3-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 1138563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).