4-bromo-N-[3-[(2S)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide

C22H18BrNO3 — CID 1218528

IUPAC4-bromo-N-[3-[(2S)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide
SMILESC[C@H](Oc1cccc(NC(=O)c2ccc(Br)cc2)c1)C(=O)c1ccccc1
InChIInChI=1S/C22H18BrNO3/c1-15(21(25)16-6-3-2-4-7-16)27-20-9-5-8-19(14-20)24-22(26)17-10-12-18(23)13-11-17/h2-15H,1H3,(H,24,26)/t15-/m0/s1
InChIKeyXRGIFLVECWQKCN-HNNXBMFYSA-N
MW424.29 g/mol
LogP5.35
Rot. Bonds6

About 4-bromo-N-[3-[(2S)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide

4-bromo-N-[3-[(2S)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide (PubChem CID 1218528) has the molecular formula C22H18BrNO3 and a molecular weight of 424.29 g/mol. Its IUPAC name is 4-bromo-N-[3-[(2S)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-[(2S)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide
PubChem CID1218528
Molecular FormulaC22H18BrNO3
Molecular Weight424.29 g/mol
Exact Mass423.05
IUPAC Name4-bromo-N-[3-[(2S)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide
SMILESC[C@H](Oc1cccc(NC(=O)c2ccc(Br)cc2)c1)C(=O)c1ccccc1
InChIInChI=1S/C22H18BrNO3/c1-15(21(25)16-6-3-2-4-7-16)27-20-9-5-8-19(14-20)24-22(26)17-10-12-18(23)13-11-17/h2-15H,1H3,(H,24,26)/t15-/m0/s1
InChIKeyXRGIFLVECWQKCN-HNNXBMFYSA-N
XLogP5.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.29
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide
CID 977194
4-bromo-N-(3-propan-2-yloxyphenyl)benzamide
CID 54791087
3-methoxy-N-[3-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 1218490
4-chloro-N-[3-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 19645135
4-bromo-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 54791265
4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154760
4-methyl-N-(3-propan-2-yloxyphenyl)benzamide
CID 2989293
N-[3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide
CID 19645063
N-[3-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide
CID 5065918
N-[3-[1-(4-methylphenyl)-1-oxopropan-2-yl]oxyphenyl]-3-nitrobenzamide
CID 3888570
4-bromo-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841391
4-methyl-N-[3-(1-oxo-1-phenylbutan-2-yl)oxyphenyl]benzamide
CID 19645089

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[(2S)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide?
The IUPAC name of 4-bromo-N-[3-[(2S)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide (CID 1218528) is 4-bromo-N-[3-[(2S)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-[(2S)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-[(2S)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide is C[C@H](Oc1cccc(NC(=O)c2ccc(Br)cc2)c1)C(=O)c1ccccc1.
What is the InChIKey of 4-bromo-N-[3-[(2S)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide?
The InChIKey is XRGIFLVECWQKCN-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H18BrNO3/c1-15(21(25)16-6-3-2-4-7-16)27-20-9-5-8-19(14-20)24-22(26)17-10-12-18(23)13-11-17/h2-15H,1H3,(H,24,26)/t15-/m0/s1.
What are the key properties of 4-bromo-N-[3-[(2S)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide?
4-bromo-N-[3-[(2S)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide has a molecular weight of 424.29 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-[(2S)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide is sourced from PubChem (CID 1218528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).