2-(4-bromo-2-formylphenoxy)-N-(3-cyanophenyl)acetamide

C16H11BrN2O3 — CID 7820172

IUPAC2-(4-bromo-2-formylphenoxy)-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)COc2ccc(Br)cc2C=O)c1
InChIInChI=1S/C16H11BrN2O3/c17-13-4-5-15(12(7-13)9-20)22-10-16(21)19-14-3-1-2-11(6-14)8-18/h1-7,9H,10H2,(H,19,21)
InChIKeyWNEHFPGGAWZIRA-UHFFFAOYSA-N
MW359.18 g/mol
LogP3.15
Rot. Bonds5

About 2-(4-bromo-2-formylphenoxy)-N-(3-cyanophenyl)acetamide

2-(4-bromo-2-formylphenoxy)-N-(3-cyanophenyl)acetamide (PubChem CID 7820172) has the molecular formula C16H11BrN2O3 and a molecular weight of 359.18 g/mol. Its IUPAC name is 2-(4-bromo-2-formylphenoxy)-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-formylphenoxy)-N-(3-cyanophenyl)acetamide
PubChem CID7820172
Molecular FormulaC16H11BrN2O3
Molecular Weight359.18 g/mol
Exact Mass358.00
IUPAC Name2-(4-bromo-2-formylphenoxy)-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)COc2ccc(Br)cc2C=O)c1
InChIInChI=1S/C16H11BrN2O3/c17-13-4-5-15(12(7-13)9-20)22-10-16(21)19-14-3-1-2-11(6-14)8-18/h1-7,9H,10H2,(H,19,21)
InChIKeyWNEHFPGGAWZIRA-UHFFFAOYSA-N
XLogP3.15
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 53.15
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

2-(4-bromo-2-formylphenoxy)-N-(3-methylphenyl)acetamide
CID 975229
2-(4-bromo-2-formylphenoxy)-N-[4-(cyanomethyl)phenyl]acetamide
CID 8862958
4-[[2-(4-bromo-2-formylphenoxy)acetyl]amino]benzamide
CID 7820218
2-(4-bromo-2-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide
CID 17202094
N-(3-cyanophenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78769028
2-(4-bromo-2,5-dimethylphenoxy)-N-(3-cyanophenyl)acetamide
CID 4270480
2-(4-bromo-2-formylphenoxy)-N-(2,6-difluorophenyl)acetamide
CID 7820166
2-(4-bromo-2-formylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 7819897
N-(1,3-benzodioxol-5-yl)-2-(4-bromo-2-formylphenoxy)acetamide
CID 7820174
2-(4-bromo-2-formylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 7819961
N-(4-bromophenyl)-2-(4-fluoro-2-formylphenoxy)acetamide
CID 107697645
2-(4-chloro-2-nitrophenoxy)-N-(3-cyanophenyl)acetamide
CID 7991024

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-formylphenoxy)-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-formylphenoxy)-N-(3-cyanophenyl)acetamide (CID 7820172) is 2-(4-bromo-2-formylphenoxy)-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-formylphenoxy)-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-formylphenoxy)-N-(3-cyanophenyl)acetamide is N#Cc1cccc(NC(=O)COc2ccc(Br)cc2C=O)c1.
What is the InChIKey of 2-(4-bromo-2-formylphenoxy)-N-(3-cyanophenyl)acetamide?
The InChIKey is WNEHFPGGAWZIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O3/c17-13-4-5-15(12(7-13)9-20)22-10-16(21)19-14-3-1-2-11(6-14)8-18/h1-7,9H,10H2,(H,19,21).
What are the key properties of 2-(4-bromo-2-formylphenoxy)-N-(3-cyanophenyl)acetamide?
2-(4-bromo-2-formylphenoxy)-N-(3-cyanophenyl)acetamide has a molecular weight of 359.18 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-formylphenoxy)-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 7820172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).