(2R)-2-(4-bromo-2-formylphenoxy)-N-(cyclohexylmethyl)propanamide

C17H22BrNO3 — CID 7820098

IUPAC(2R)-2-(4-bromo-2-formylphenoxy)-N-(cyclohexylmethyl)propanamide
SMILESC[C@@H](Oc1ccc(Br)cc1C=O)C(=O)NCC1CCCCC1
InChIInChI=1S/C17H22BrNO3/c1-12(17(21)19-10-13-5-3-2-4-6-13)22-16-8-7-15(18)9-14(16)11-20/h7-9,11-13H,2-6,10H2,1H3,(H,19,21)/t12-/m1/s1
InChIKeyKCBGJUTWESRUIX-GFCCVEGCSA-N
MW368.27 g/mol
LogP3.73
Rot. Bonds6

About (2R)-2-(4-bromo-2-formylphenoxy)-N-(cyclohexylmethyl)propanamide

(2R)-2-(4-bromo-2-formylphenoxy)-N-(cyclohexylmethyl)propanamide (PubChem CID 7820098) has the molecular formula C17H22BrNO3 and a molecular weight of 368.27 g/mol. Its IUPAC name is (2R)-2-(4-bromo-2-formylphenoxy)-N-(cyclohexylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-bromo-2-formylphenoxy)-N-(cyclohexylmethyl)propanamide
PubChem CID7820098
Molecular FormulaC17H22BrNO3
Molecular Weight368.27 g/mol
Exact Mass367.08
IUPAC Name(2R)-2-(4-bromo-2-formylphenoxy)-N-(cyclohexylmethyl)propanamide
SMILESC[C@@H](Oc1ccc(Br)cc1C=O)C(=O)NCC1CCCCC1
InChIInChI=1S/C17H22BrNO3/c1-12(17(21)19-10-13-5-3-2-4-6-13)22-16-8-7-15(18)9-14(16)11-20/h7-9,11-13H,2-6,10H2,1H3,(H,19,21)/t12-/m1/s1
InChIKeyKCBGJUTWESRUIX-GFCCVEGCSA-N
XLogP3.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 53.73
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-cyclopentylpropanamide
CID 43082992
(2S)-2-(4-bromo-2-formylphenoxy)-N-methylpropanamide
CID 28834154
2-(4-bromo-2-formylphenoxy)-N-butan-2-ylpropanamide
CID 43112259
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-formylphenoxy)propanamide
CID 7820035
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-formylphenoxy)propanamide
CID 7820033
(2S)-2-(4-bromo-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 7820119
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-bromo-2-chlorobenzoate
CID 7762575
4-[[(2R)-2-(4-bromo-2-formylphenoxy)propanoyl]amino]benzamide
CID 7820103
(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide
CID 95900718
[(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] (E)-3-(3-bromophenyl)prop-2-enoate
CID 7808462
(2S)-2-(2-formyl-4-nitrophenoxy)-N-(2-methoxyethyl)propanamide
CID 8733172
2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide
CID 133164152

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromo-2-formylphenoxy)-N-(cyclohexylmethyl)propanamide?
The IUPAC name of (2R)-2-(4-bromo-2-formylphenoxy)-N-(cyclohexylmethyl)propanamide (CID 7820098) is (2R)-2-(4-bromo-2-formylphenoxy)-N-(cyclohexylmethyl)propanamide.
What is the SMILES notation for (2R)-2-(4-bromo-2-formylphenoxy)-N-(cyclohexylmethyl)propanamide?
The canonical SMILES for (2R)-2-(4-bromo-2-formylphenoxy)-N-(cyclohexylmethyl)propanamide is C[C@@H](Oc1ccc(Br)cc1C=O)C(=O)NCC1CCCCC1.
What is the InChIKey of (2R)-2-(4-bromo-2-formylphenoxy)-N-(cyclohexylmethyl)propanamide?
The InChIKey is KCBGJUTWESRUIX-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22BrNO3/c1-12(17(21)19-10-13-5-3-2-4-6-13)22-16-8-7-15(18)9-14(16)11-20/h7-9,11-13H,2-6,10H2,1H3,(H,19,21)/t12-/m1/s1.
What are the key properties of (2R)-2-(4-bromo-2-formylphenoxy)-N-(cyclohexylmethyl)propanamide?
(2R)-2-(4-bromo-2-formylphenoxy)-N-(cyclohexylmethyl)propanamide has a molecular weight of 368.27 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromo-2-formylphenoxy)-N-(cyclohexylmethyl)propanamide is sourced from PubChem (CID 7820098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).