2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide

C17H15BrClNO4 — CID 7568660

IUPAC2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide
SMILESCOc1cc(Br)c(C=O)cc1OCC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C17H15BrClNO4/c1-23-15-7-14(18)12(9-21)6-16(15)24-10-17(22)20-8-11-3-2-4-13(19)5-11/h2-7,9H,8,10H2,1H3,(H,20,22)
InChIKeyWDJBFHXXHBAUBW-UHFFFAOYSA-N
MW412.67 g/mol
LogP3.62
Rot. Bonds7

About 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide

2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide (PubChem CID 7568660) has the molecular formula C17H15BrClNO4 and a molecular weight of 412.67 g/mol. Its IUPAC name is 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide
PubChem CID7568660
Molecular FormulaC17H15BrClNO4
Molecular Weight412.67 g/mol
Exact Mass410.99
IUPAC Name2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide
SMILESCOc1cc(Br)c(C=O)cc1OCC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C17H15BrClNO4/c1-23-15-7-14(18)12(9-21)6-16(15)24-10-17(22)20-8-11-3-2-4-13(19)5-11/h2-7,9H,8,10H2,1H3,(H,20,22)
InChIKeyWDJBFHXXHBAUBW-UHFFFAOYSA-N
XLogP3.62
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.67
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[5-bromo-2-methoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide
CID 169383368
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(3-chlorophenyl)methyl]acetamide
CID 9209889
N-[(3-chlorophenyl)methyl]-2-(2,6-dimethoxyphenoxy)acetamide
CID 51142104
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-methylacetamide
CID 7568725
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7568704
2-[[2-(4-bromo-5-formyl-2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 8582246
2-(5-bromo-4-formyl-2-methoxyphenoxy)-N-(2-methoxyphenyl)acetamide
CID 1309651
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 8951230
N-[(3-chlorophenyl)methyl]-2-methoxyacetamide
CID 60636717
2-(3-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2707667
N-benzyl-2-[5-bromo-2-ethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide
CID 169383375
2-[2-[[4-[2-(benzylamino)-2-oxoethoxy]-2-bromo-5-methoxyphenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 168621676

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide (CID 7568660) is 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide is COc1cc(Br)c(C=O)cc1OCC(=O)NCc1cccc(Cl)c1.
What is the InChIKey of 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide?
The InChIKey is WDJBFHXXHBAUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClNO4/c1-23-15-7-14(18)12(9-21)6-16(15)24-10-17(22)20-8-11-3-2-4-13(19)5-11/h2-7,9H,8,10H2,1H3,(H,20,22).
What are the key properties of 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide?
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide has a molecular weight of 412.67 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 7568660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).