(1-benzamido-2-methoxy-2-oxoethyl)-triphenylphosphanium bromide

C28H25BrNO3P — CID 11432604

IUPAC(1-benzamido-2-methoxy-2-oxoethyl)-triphenylphosphanium bromide
SMILESCOC(=O)C(NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C28H24NO3P.BrH/c1-32-28(31)27(29-26(30)22-14-6-2-7-15-22)33(23-16-8-3-9-17-23,24-18-10-4-11-19-24)25-20-12-5-13-21-25;/h2-21,27H,1H3;1H
InChIKeyANTNEZDSTLICHD-UHFFFAOYSA-N
MW534.39 g/mol
LogP0.91
Rot. Bonds7

About (1-benzamido-2-methoxy-2-oxoethyl)-triphenylphosphanium bromide

(1-benzamido-2-methoxy-2-oxoethyl)-triphenylphosphanium bromide (PubChem CID 11432604) has the molecular formula C28H25BrNO3P and a molecular weight of 534.39 g/mol. Its IUPAC name is (1-benzamido-2-methoxy-2-oxoethyl)-triphenylphosphanium bromide.

Molecular Properties

Compound Name(1-benzamido-2-methoxy-2-oxoethyl)-triphenylphosphanium bromide
PubChem CID11432604
Molecular FormulaC28H25BrNO3P
Molecular Weight534.39 g/mol
Exact Mass533.08
IUPAC Name(1-benzamido-2-methoxy-2-oxoethyl)-triphenylphosphanium bromide
SMILESCOC(=O)C(NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C28H24NO3P.BrH/c1-32-28(31)27(29-26(30)22-14-6-2-7-15-22)33(23-16-8-3-9-17-23,24-18-10-4-11-19-24)25-20-12-5-13-21-25;/h2-21,27H,1H3;1H
InChIKeyANTNEZDSTLICHD-UHFFFAOYSA-N
XLogP0.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.39
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(1-acetamido-2-methoxy-2-oxoethyl)-triphenylphosphanium
CID 11202417
methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 13148833
methyl (2S)-2-benzamidopropanoate
CID 6364617
methyl (2S)-2-[[(2R)-2-benzamido-3-methylbutanoyl]amino]-3-methylbutanoate
CID 2208900
(3R)-3-benzamido-4-methoxy-4-oxobutanoic acid
CID 124500287
CID 68891597
CID 68891597
(2-methoxy-2-oxo-1-phenylethyl)-triphenylphosphanium bromide
CID 19797774
methyl 3-amino-2-benzamido-3-methylbutanoate
CID 123291153
methyl 2-benzamido-2-methylsulfonylacetate
CID 121218020
N-(2,2-dichloro-1-methoxyethyl)benzamide
CID 3544420
dimethyl (2R,3S)-2-benzamido-3-[(1S)-1-benzamidobutyl]butanedioate
CID 11212841
[(2R)-2-benzamido-3-methoxy-3-oxopropyl] benzoate
CID 86334795

Frequently Asked Questions

What is the IUPAC name of (1-benzamido-2-methoxy-2-oxoethyl)-triphenylphosphanium bromide?
The IUPAC name of (1-benzamido-2-methoxy-2-oxoethyl)-triphenylphosphanium bromide (CID 11432604) is (1-benzamido-2-methoxy-2-oxoethyl)-triphenylphosphanium bromide.
What is the SMILES notation for (1-benzamido-2-methoxy-2-oxoethyl)-triphenylphosphanium bromide?
The canonical SMILES for (1-benzamido-2-methoxy-2-oxoethyl)-triphenylphosphanium bromide is COC(=O)C(NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of (1-benzamido-2-methoxy-2-oxoethyl)-triphenylphosphanium bromide?
The InChIKey is ANTNEZDSTLICHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24NO3P.BrH/c1-32-28(31)27(29-26(30)22-14-6-2-7-15-22)33(23-16-8-3-9-17-23,24-18-10-4-11-19-24)25-20-12-5-13-21-25;/h2-21,27H,1H3;1H.
What are the key properties of (1-benzamido-2-methoxy-2-oxoethyl)-triphenylphosphanium bromide?
(1-benzamido-2-methoxy-2-oxoethyl)-triphenylphosphanium bromide has a molecular weight of 534.39 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzamido-2-methoxy-2-oxoethyl)-triphenylphosphanium bromide is sourced from PubChem (CID 11432604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).