2-(3-acetylphenoxy)-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]acetamide

C23H19BrFNO3 — CID 55990114

IUPAC2-(3-acetylphenoxy)-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]acetamide
SMILESCC(=O)c1cccc(OCC(=O)NC(c2ccccc2)c2ccc(Br)cc2F)c1
InChIInChI=1S/C23H19BrFNO3/c1-15(27)17-8-5-9-19(12-17)29-14-22(28)26-23(16-6-3-2-4-7-16)20-11-10-18(24)13-21(20)25/h2-13,23H,14H2,1H3,(H,26,28)
InChIKeyOEDJBNJUZONCBH-UHFFFAOYSA-N
MW456.31 g/mol
LogP5.08
Rot. Bonds7

About 2-(3-acetylphenoxy)-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]acetamide

2-(3-acetylphenoxy)-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]acetamide (PubChem CID 55990114) has the molecular formula C23H19BrFNO3 and a molecular weight of 456.31 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]acetamide
PubChem CID55990114
Molecular FormulaC23H19BrFNO3
Molecular Weight456.31 g/mol
Exact Mass455.05
IUPAC Name2-(3-acetylphenoxy)-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]acetamide
SMILESCC(=O)c1cccc(OCC(=O)NC(c2ccccc2)c2ccc(Br)cc2F)c1
InChIInChI=1S/C23H19BrFNO3/c1-15(27)17-8-5-9-19(12-17)29-14-22(28)26-23(16-6-3-2-4-7-16)20-11-10-18(24)13-21(20)25/h2-13,23H,14H2,1H3,(H,26,28)
InChIKeyOEDJBNJUZONCBH-UHFFFAOYSA-N
XLogP5.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.31
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetylphenoxy)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 78798600
[2-(benzhydrylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 8007912
N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(2-nitrophenoxy)acetamide
CID 55857646
4-amino-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]pentanamide
CID 120560847
N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119738549
2-(3-acetylphenoxy)-N-pentan-3-ylacetamide
CID 60626470
2-(3-acetylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 51141697
N-[(S)-(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(tetrazol-1-yl)acetamide
CID 52724876
N-[(R)-(4-bromo-2-fluorophenyl)-phenylmethyl]-6-methylpyridine-3-carboxamide
CID 52688316
2-(3-acetylphenoxy)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 41188622
N-[3-[[(4-bromo-2-fluorophenyl)-phenylmethyl]amino]-3-oxopropyl]-2-methylbenzamide
CID 60523190
N-benzhydryl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758154

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-(3-acetylphenoxy)-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]acetamide (CID 55990114) is 2-(3-acetylphenoxy)-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]acetamide is CC(=O)c1cccc(OCC(=O)NC(c2ccccc2)c2ccc(Br)cc2F)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]acetamide?
The InChIKey is OEDJBNJUZONCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrFNO3/c1-15(27)17-8-5-9-19(12-17)29-14-22(28)26-23(16-6-3-2-4-7-16)20-11-10-18(24)13-21(20)25/h2-13,23H,14H2,1H3,(H,26,28).
What are the key properties of 2-(3-acetylphenoxy)-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]acetamide?
2-(3-acetylphenoxy)-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]acetamide has a molecular weight of 456.31 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-[(4-bromo-2-fluorophenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 55990114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).