2-(2-bromo-6-formylphenoxy)-N-propan-2-ylacetamide

C12H14BrNO3 — CID 61391421

IUPAC2-(2-bromo-6-formylphenoxy)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1c(Br)cccc1C=O
InChIInChI=1S/C12H14BrNO3/c1-8(2)14-11(16)7-17-12-9(6-15)4-3-5-10(12)13/h3-6,8H,7H2,1-2H3,(H,14,16)
InChIKeyZZUCQKVCFCYVEU-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.16
Rot. Bonds5

About 2-(2-bromo-6-formylphenoxy)-N-propan-2-ylacetamide

2-(2-bromo-6-formylphenoxy)-N-propan-2-ylacetamide (PubChem CID 61391421) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is 2-(2-bromo-6-formylphenoxy)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-bromo-6-formylphenoxy)-N-propan-2-ylacetamide
PubChem CID61391421
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name2-(2-bromo-6-formylphenoxy)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1c(Br)cccc1C=O
InChIInChI=1S/C12H14BrNO3/c1-8(2)14-11(16)7-17-12-9(6-15)4-3-5-10(12)13/h3-6,8H,7H2,1-2H3,(H,14,16)
InChIKeyZZUCQKVCFCYVEU-UHFFFAOYSA-N
XLogP2.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-6-formylphenoxy)-N-prop-2-enylacetamide
CID 61390786
3-bromo-2-(2-bromoprop-2-enoxy)benzaldehyde
CID 61391450
3-(2-fluoro-6-formylphenoxy)-N-propan-2-ylpropanamide
CID 112611550
2-(2-formyl-6-methoxyphenoxy)-N-pentan-2-ylacetamide
CID 61489932
3-(2-bromo-6-formylphenoxy)butanamide
CID 123241390
2-(2-bromo-6-formylphenoxy)-N-(2-methoxyethyl)propanamide
CID 61390814
3-bromo-2-butoxybenzaldehyde
CID 61390829
3-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 104563415
methyl 4-[(2-bromo-6-formylphenoxy)methyl]benzoate
CID 61390817
2-(2-formyl-6-methylphenoxy)-N-propan-2-ylpropanamide
CID 112611177
2-(2-formyl-6-methoxyphenoxy)-N-methylacetamide
CID 43471368
3-bromo-2-(2-hydroxy-2-phenylethoxy)benzaldehyde
CID 61391435

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-formylphenoxy)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-bromo-6-formylphenoxy)-N-propan-2-ylacetamide (CID 61391421) is 2-(2-bromo-6-formylphenoxy)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-bromo-6-formylphenoxy)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-bromo-6-formylphenoxy)-N-propan-2-ylacetamide is CC(C)NC(=O)COc1c(Br)cccc1C=O.
What is the InChIKey of 2-(2-bromo-6-formylphenoxy)-N-propan-2-ylacetamide?
The InChIKey is ZZUCQKVCFCYVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3/c1-8(2)14-11(16)7-17-12-9(6-15)4-3-5-10(12)13/h3-6,8H,7H2,1-2H3,(H,14,16).
What are the key properties of 2-(2-bromo-6-formylphenoxy)-N-propan-2-ylacetamide?
2-(2-bromo-6-formylphenoxy)-N-propan-2-ylacetamide has a molecular weight of 300.15 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-formylphenoxy)-N-propan-2-ylacetamide is sourced from PubChem (CID 61391421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).