2-(4-bromo-2-formylphenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide

C19H20BrNO3 — CID 7820162

IUPAC2-(4-bromo-2-formylphenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESC[C@H](CCc1ccccc1)NC(=O)COc1ccc(Br)cc1C=O
InChIInChI=1S/C19H20BrNO3/c1-14(7-8-15-5-3-2-4-6-15)21-19(23)13-24-18-10-9-17(20)11-16(18)12-22/h2-6,9-12,14H,7-8,13H2,1H3,(H,21,23)/t14-/m1/s1
InChIKeyXIJUGDSAUYAPBK-CQSZACIVSA-N
MW390.28 g/mol
LogP3.78
Rot. Bonds8

About 2-(4-bromo-2-formylphenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide

2-(4-bromo-2-formylphenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide (PubChem CID 7820162) has the molecular formula C19H20BrNO3 and a molecular weight of 390.28 g/mol. Its IUPAC name is 2-(4-bromo-2-formylphenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-formylphenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide
PubChem CID7820162
Molecular FormulaC19H20BrNO3
Molecular Weight390.28 g/mol
Exact Mass389.06
IUPAC Name2-(4-bromo-2-formylphenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESC[C@H](CCc1ccccc1)NC(=O)COc1ccc(Br)cc1C=O
InChIInChI=1S/C19H20BrNO3/c1-14(7-8-15-5-3-2-4-6-15)21-19(23)13-24-18-10-9-17(20)11-16(18)12-22/h2-6,9-12,14H,7-8,13H2,1H3,(H,21,23)/t14-/m1/s1
InChIKeyXIJUGDSAUYAPBK-CQSZACIVSA-N
XLogP3.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 53.78
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-formyl-4-methoxyphenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 8634027
2-(2-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 4781197
2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 16552551
2-(2-bromo-4-chlorophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 4217698
2-(4-bromo-2-formylphenoxy)-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 9007013
2-(4-bromo-2-formylphenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 9007049
5-bromo-2-ethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2947744
2-(4-bromo-2-formylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 7819961
methyl 3-methoxy-4-[2-oxo-2-(4-phenylbutan-2-ylamino)ethoxy]benzoate
CID 17438151
2-(4-bromo-2-formylphenoxy)-N-prop-2-ynylacetamide
CID 9006975
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 5-bromo-2-chlorobenzoate
CID 2091272
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 5-bromo-2-chlorobenzoate
CID 2091273

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-formylphenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-(4-bromo-2-formylphenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide (CID 7820162) is 2-(4-bromo-2-formylphenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-formylphenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-(4-bromo-2-formylphenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide is C[C@H](CCc1ccccc1)NC(=O)COc1ccc(Br)cc1C=O.
What is the InChIKey of 2-(4-bromo-2-formylphenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The InChIKey is XIJUGDSAUYAPBK-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20BrNO3/c1-14(7-8-15-5-3-2-4-6-15)21-19(23)13-24-18-10-9-17(20)11-16(18)12-22/h2-6,9-12,14H,7-8,13H2,1H3,(H,21,23)/t14-/m1/s1.
What are the key properties of 2-(4-bromo-2-formylphenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide?
2-(4-bromo-2-formylphenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide has a molecular weight of 390.28 g/mol, XLogP of 3.78, 8 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-[(2R)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 7820162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).