(2S)-2-(4-bromo-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide

C19H20BrNO3 — CID 7820119

IUPAC(2S)-2-(4-bromo-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(Br)cc2C=O)c(C)c1
InChIInChI=1S/C19H20BrNO3/c1-11-7-12(2)18(13(3)8-11)21-19(23)14(4)24-17-6-5-16(20)9-15(17)10-22/h5-10,14H,1-4H3,(H,21,23)/t14-/m0/s1
InChIKeyQCEFIQMRRMWTCD-AWEZNQCLSA-N
MW390.28 g/mol
LogP4.59
Rot. Bonds5

About (2S)-2-(4-bromo-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide

(2S)-2-(4-bromo-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 7820119) has the molecular formula C19H20BrNO3 and a molecular weight of 390.28 g/mol. Its IUPAC name is (2S)-2-(4-bromo-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-bromo-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID7820119
Molecular FormulaC19H20BrNO3
Molecular Weight390.28 g/mol
Exact Mass389.06
IUPAC Name(2S)-2-(4-bromo-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(Br)cc2C=O)c(C)c1
InChIInChI=1S/C19H20BrNO3/c1-11-7-12(2)18(13(3)8-11)21-19(23)14(4)24-17-6-5-16(20)9-15(17)10-22/h5-10,14H,1-4H3,(H,21,23)/t14-/m0/s1
InChIKeyQCEFIQMRRMWTCD-AWEZNQCLSA-N
XLogP4.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 54.59
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

(2S)-2-(4-bromo-2-formylphenoxy)-N-methylpropanamide
CID 28834154
(2S)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 837680
(2R)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 837681
2-(4-bromo-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 4960970
4-[[(2R)-2-(4-bromo-2-formylphenoxy)propanoyl]amino]benzamide
CID 7820103
2-(4-bromo-2-formylphenoxy)-N-butan-2-ylpropanamide
CID 43112259
2-(4-bromo-2-formylphenoxy)-N-cyclopentylpropanamide
CID 43082992
2-(2,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 4944710
(2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 8010131
(2S)-2-(4-bromo-2-formylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 41014399
(2R)-2-[2-iodo-5-methyl-3-[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]oxyphenoxy]-N-(2,4,6-trimethylphenyl)propanamide
CID 52916896
(2R)-2-(4-bromo-2-formylphenoxy)-N-(cyclohexylmethyl)propanamide
CID 7820098

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromo-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of (2S)-2-(4-bromo-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide (CID 7820119) is (2S)-2-(4-bromo-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-bromo-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for (2S)-2-(4-bromo-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(Br)cc2C=O)c(C)c1.
What is the InChIKey of (2S)-2-(4-bromo-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is QCEFIQMRRMWTCD-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20BrNO3/c1-11-7-12(2)18(13(3)8-11)21-19(23)14(4)24-17-6-5-16(20)9-15(17)10-22/h5-10,14H,1-4H3,(H,21,23)/t14-/m0/s1.
What are the key properties of (2S)-2-(4-bromo-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide?
(2S)-2-(4-bromo-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 390.28 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromo-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 7820119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).