(4-bromophenoxy)-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-oxophosphanium

C10H12BrNO4P+ — CID 90160123

IUPAC(4-bromophenoxy)-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-oxophosphanium
SMILESCOC(=O)[C@H](C)N[P+](=O)Oc1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO4P/c1-7(10(13)15-2)12-17(14)16-9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,14)/q+1/t7-/m0/s1
InChIKeyNDYTZXKNZOUDAC-ZETCQYMHSA-N
MW321.09 g/mol
LogP2.64
Rot. Bonds5

About (4-bromophenoxy)-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-oxophosphanium

(4-bromophenoxy)-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-oxophosphanium (PubChem CID 90160123) has the molecular formula C10H12BrNO4P+ and a molecular weight of 321.09 g/mol. Its IUPAC name is (4-bromophenoxy)-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-oxophosphanium.

Molecular Properties

Compound Name(4-bromophenoxy)-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-oxophosphanium
PubChem CID90160123
Molecular FormulaC10H12BrNO4P+
Molecular Weight321.09 g/mol
Exact Mass319.97
IUPAC Name(4-bromophenoxy)-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-oxophosphanium
SMILESCOC(=O)[C@H](C)N[P+](=O)Oc1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO4P/c1-7(10(13)15-2)12-17(14)16-9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,14)/q+1/t7-/m0/s1
InChIKeyNDYTZXKNZOUDAC-ZETCQYMHSA-N
XLogP2.64
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.09
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-bromophenoxy)-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(4-bromobenzoyl)amino]propanoate
CID 531405
methyl 2-bromo-2-(4-bromophenoxy)acetate
CID 154287154
methyl 2-amino-3-(4-bromophenoxy)butanoate
CID 86263225
(2R)-2-(4-bromophenoxy)propanamide
CID 974910
methyl 3-amino-2-(4-bromophenoxy)propanoate
CID 110209426
methyl 2-[[(4-bromophenoxy)-(2,3,4,5,6-pentafluorophenoxy)phosphanyl]amino]propanoate
CID 171628819
(4-bromophenoxy)-oxo-(2-oxoethylamino)phosphanium;methoxymethane;propane
CID 145486977
methyl 2-(4-bromophenoxy)but-3-enoate
CID 132597597
ethane;methyl 3-(4-bromophenyl)-2-methylbutanoate
CID 142474459
methyl 2-(4-bromophenyl)-3-methoxypropanoate
CID 117245340
(4-bromophenyl) N-propan-2-ylcarbamoperoxoate
CID 170339257
(2R)-N-[4-(4-bromophenoxy)phenyl]-2-(carbamoylamino)propanamide
CID 25481714

Frequently Asked Questions

What is the IUPAC name of (4-bromophenoxy)-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-oxophosphanium?
The IUPAC name of (4-bromophenoxy)-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-oxophosphanium (CID 90160123) is (4-bromophenoxy)-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-oxophosphanium.
What is the SMILES notation for (4-bromophenoxy)-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-oxophosphanium?
The canonical SMILES for (4-bromophenoxy)-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-oxophosphanium is COC(=O)[C@H](C)N[P+](=O)Oc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenoxy)-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-oxophosphanium?
The InChIKey is NDYTZXKNZOUDAC-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12BrNO4P/c1-7(10(13)15-2)12-17(14)16-9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,14)/q+1/t7-/m0/s1.
What are the key properties of (4-bromophenoxy)-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-oxophosphanium?
(4-bromophenoxy)-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-oxophosphanium has a molecular weight of 321.09 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenoxy)-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-oxophosphanium is sourced from PubChem (CID 90160123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).