2-(4-bromo-2-formylphenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide

C16H20BrNO3 — CID 7819985

IUPAC2-(4-bromo-2-formylphenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)COc1ccc(Br)cc1C=O
InChIInChI=1S/C16H20BrNO3/c1-11-4-2-3-5-14(11)18-16(20)10-21-15-7-6-13(17)8-12(15)9-19/h6-9,11,14H,2-5,10H2,1H3,(H,18,20)/t11-,14-/m1/s1
InChIKeyJJFFOFCZBOPDFC-BXUZGUMPSA-N
MW354.24 g/mol
LogP3.34
Rot. Bonds5

About 2-(4-bromo-2-formylphenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide

2-(4-bromo-2-formylphenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide (PubChem CID 7819985) has the molecular formula C16H20BrNO3 and a molecular weight of 354.24 g/mol. Its IUPAC name is 2-(4-bromo-2-formylphenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-formylphenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
PubChem CID7819985
Molecular FormulaC16H20BrNO3
Molecular Weight354.24 g/mol
Exact Mass353.06
IUPAC Name2-(4-bromo-2-formylphenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)COc1ccc(Br)cc1C=O
InChIInChI=1S/C16H20BrNO3/c1-11-4-2-3-5-14(11)18-16(20)10-21-15-7-6-13(17)8-12(15)9-19/h6-9,11,14H,2-5,10H2,1H3,(H,18,20)/t11-,14-/m1/s1
InChIKeyJJFFOFCZBOPDFC-BXUZGUMPSA-N
XLogP3.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 53.34
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-(4-bromo-2-formylphenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7819987
2-(2-formyl-4-methoxyphenoxy)-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 8634198
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-(2-formyl-4-nitrophenoxy)acetamide
CID 11925852
N-cyclopentyl-2-(2-formyl-4-methylphenoxy)acetamide
CID 63324573
2-(4-bromophenoxy)-N-(2-methylcyclohexyl)acetamide;oxalic acid
CID 171154743
2-(6-bromoquinazolin-4-yl)oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 2573004
2-(2-methoxyphenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7834380
N-[(1S,2S)-2-methylcyclohexyl]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 8561598
2-(2-chloro-4-nitrophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7865886
2-(2-chloro-4-nitrophenoxy)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7865889
2-(4-bromo-2-formylphenoxy)-N-prop-2-ynylacetamide
CID 9006975
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-cyclopentylacetamide
CID 7568980

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-formylphenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-(4-bromo-2-formylphenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide (CID 7819985) is 2-(4-bromo-2-formylphenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-formylphenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-formylphenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide is C[C@@H]1CCCC[C@H]1NC(=O)COc1ccc(Br)cc1C=O.
What is the InChIKey of 2-(4-bromo-2-formylphenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The InChIKey is JJFFOFCZBOPDFC-BXUZGUMPSA-N. The full InChI is InChI=1S/C16H20BrNO3/c1-11-4-2-3-5-14(11)18-16(20)10-21-15-7-6-13(17)8-12(15)9-19/h6-9,11,14H,2-5,10H2,1H3,(H,18,20)/t11-,14-/m1/s1.
What are the key properties of 2-(4-bromo-2-formylphenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
2-(4-bromo-2-formylphenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide has a molecular weight of 354.24 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-formylphenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 7819985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).