bis[[(4-bromobenzoyl)amino]methoxy]-oxophosphanium

C16H14Br2N2O5P+ — CID 122699134

IUPACbis[[(4-bromobenzoyl)amino]methoxy]-oxophosphanium
SMILESO=C(NCO[P+](=O)OCNC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H13Br2N2O5P/c17-13-5-1-11(2-6-13)15(21)19-9-24-26(23)25-10-20-16(22)12-3-7-14(18)8-4-12/h1-8H,9-10H2,(H-,19,20,21,22)/p+1
InChIKeySRAXKHVVNAYHEX-UHFFFAOYSA-O
MW505.08 g/mol
LogP3.98
Rot. Bonds8

About bis[[(4-bromobenzoyl)amino]methoxy]-oxophosphanium

bis[[(4-bromobenzoyl)amino]methoxy]-oxophosphanium (PubChem CID 122699134) has the molecular formula C16H14Br2N2O5P+ and a molecular weight of 505.08 g/mol. Its IUPAC name is bis[[(4-bromobenzoyl)amino]methoxy]-oxophosphanium.

Molecular Properties

Compound Namebis[[(4-bromobenzoyl)amino]methoxy]-oxophosphanium
PubChem CID122699134
Molecular FormulaC16H14Br2N2O5P+
Molecular Weight505.08 g/mol
Exact Mass502.90
IUPAC Namebis[[(4-bromobenzoyl)amino]methoxy]-oxophosphanium
SMILESO=C(NCO[P+](=O)OCNC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H13Br2N2O5P/c17-13-5-1-11(2-6-13)15(21)19-9-24-26(23)25-10-20-16(22)12-3-7-14(18)8-4-12/h1-8H,9-10H2,(H-,19,20,21,22)/p+1
InChIKeySRAXKHVVNAYHEX-UHFFFAOYSA-O
XLogP3.98
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.08
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(chloromethyl)benzamide
CID 29079018
4-bromo-N-(2-cyanoethoxymethyl)benzamide
CID 71407041
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
4-bromo-N-(2-oxopropyl)benzamide
CID 64997331
4-bromo-N-[(dimethylamino)methyl]benzamide
CID 86084577
4-bromo-N-(2,2-difluoroethyl)benzamide
CID 79079579
cyanomethyl 2-[(4-bromobenzoyl)amino]acetate
CID 9364242
4-bromo-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60701326
N-(2-amino-2-methylpropyl)-4-bromobenzamide
CID 81482664
4-bromo-N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide
CID 110369907
4-bromo-N-pentylbenzamide
CID 4167913
N-[2-[(4-bromobenzoyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 108539326

Frequently Asked Questions

What is the IUPAC name of bis[[(4-bromobenzoyl)amino]methoxy]-oxophosphanium?
The IUPAC name of bis[[(4-bromobenzoyl)amino]methoxy]-oxophosphanium (CID 122699134) is bis[[(4-bromobenzoyl)amino]methoxy]-oxophosphanium.
What is the SMILES notation for bis[[(4-bromobenzoyl)amino]methoxy]-oxophosphanium?
The canonical SMILES for bis[[(4-bromobenzoyl)amino]methoxy]-oxophosphanium is O=C(NCO[P+](=O)OCNC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of bis[[(4-bromobenzoyl)amino]methoxy]-oxophosphanium?
The InChIKey is SRAXKHVVNAYHEX-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H13Br2N2O5P/c17-13-5-1-11(2-6-13)15(21)19-9-24-26(23)25-10-20-16(22)12-3-7-14(18)8-4-12/h1-8H,9-10H2,(H-,19,20,21,22)/p+1.
What are the key properties of bis[[(4-bromobenzoyl)amino]methoxy]-oxophosphanium?
bis[[(4-bromobenzoyl)amino]methoxy]-oxophosphanium has a molecular weight of 505.08 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[(4-bromobenzoyl)amino]methoxy]-oxophosphanium is sourced from PubChem (CID 122699134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).