2-(4-bromo-2-formylphenoxy)-N-(tert-butylcarbamoyl)acetamide

C14H17BrN2O4 — CID 7819916

IUPAC2-(4-bromo-2-formylphenoxy)-N-(tert-butylcarbamoyl)acetamide
SMILESCC(C)(C)NC(=O)NC(=O)COc1ccc(Br)cc1C=O
InChIInChI=1S/C14H17BrN2O4/c1-14(2,3)17-13(20)16-12(19)8-21-11-5-4-10(15)6-9(11)7-18/h4-7H,8H2,1-3H3,(H2,16,17,19,20)
InChIKeyMLEXMIZCNNCKSZ-UHFFFAOYSA-N
MW357.20 g/mol
LogP2.26
Rot. Bonds4

About 2-(4-bromo-2-formylphenoxy)-N-(tert-butylcarbamoyl)acetamide

2-(4-bromo-2-formylphenoxy)-N-(tert-butylcarbamoyl)acetamide (PubChem CID 7819916) has the molecular formula C14H17BrN2O4 and a molecular weight of 357.20 g/mol. Its IUPAC name is 2-(4-bromo-2-formylphenoxy)-N-(tert-butylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-formylphenoxy)-N-(tert-butylcarbamoyl)acetamide
PubChem CID7819916
Molecular FormulaC14H17BrN2O4
Molecular Weight357.20 g/mol
Exact Mass356.04
IUPAC Name2-(4-bromo-2-formylphenoxy)-N-(tert-butylcarbamoyl)acetamide
SMILESCC(C)(C)NC(=O)NC(=O)COc1ccc(Br)cc1C=O
InChIInChI=1S/C14H17BrN2O4/c1-14(2,3)17-13(20)16-12(19)8-21-11-5-4-10(15)6-9(11)7-18/h4-7H,8H2,1-3H3,(H2,16,17,19,20)
InChIKeyMLEXMIZCNNCKSZ-UHFFFAOYSA-N
XLogP2.26
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 52.26
H-Bond Donors ≤ 52
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-prop-2-ynylacetamide
CID 9006975
2-(4-bromo-2-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide
CID 17202094
2-(4-bromo-2-formylphenoxy)-N-(2,6-difluorophenyl)acetamide
CID 7820166
2-(4-bromo-2-formylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 7819961
2-(4-bromo-2-formylphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 27874519
2-(4-bromo-2-formylphenoxy)-N-(3-methylphenyl)acetamide
CID 975229
N-(tert-butylcarbamoyl)-2-(2,4-dichlorophenoxy)acetamide
CID 2640450
2-(4-bromo-2-formylphenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 9007049
2-(4-bromo-2-chlorophenoxy)-N-tert-butylacetamide
CID 885602
ethyl 2-(4-bromo-2-formylphenoxy)acetate
CID 880259
tert-butyl N-[2-(4-bromo-2-formylphenoxy)ethyl]carbamate
CID 126961724
5-bromo-2-(2-hydroxy-2,3-dimethylbutoxy)benzaldehyde
CID 114493960

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-formylphenoxy)-N-(tert-butylcarbamoyl)acetamide?
The IUPAC name of 2-(4-bromo-2-formylphenoxy)-N-(tert-butylcarbamoyl)acetamide (CID 7819916) is 2-(4-bromo-2-formylphenoxy)-N-(tert-butylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-formylphenoxy)-N-(tert-butylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-formylphenoxy)-N-(tert-butylcarbamoyl)acetamide is CC(C)(C)NC(=O)NC(=O)COc1ccc(Br)cc1C=O.
What is the InChIKey of 2-(4-bromo-2-formylphenoxy)-N-(tert-butylcarbamoyl)acetamide?
The InChIKey is MLEXMIZCNNCKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O4/c1-14(2,3)17-13(20)16-12(19)8-21-11-5-4-10(15)6-9(11)7-18/h4-7H,8H2,1-3H3,(H2,16,17,19,20).
What are the key properties of 2-(4-bromo-2-formylphenoxy)-N-(tert-butylcarbamoyl)acetamide?
2-(4-bromo-2-formylphenoxy)-N-(tert-butylcarbamoyl)acetamide has a molecular weight of 357.20 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-formylphenoxy)-N-(tert-butylcarbamoyl)acetamide is sourced from PubChem (CID 7819916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).