5-bromo-N-(4-bromophenyl)-2-oxo-2-phenyl-3H-1,2λ5-benzoxaphosphol-3-amine

C19H14Br2NO2P — CID 25243501

IUPAC5-bromo-N-(4-bromophenyl)-2-oxo-2-phenyl-3H-1,2λ5-benzoxaphosphol-3-amine
SMILESO=P1(c2ccccc2)Oc2ccc(Br)cc2C1Nc1ccc(Br)cc1
InChIInChI=1S/C19H14Br2NO2P/c20-13-6-9-15(10-7-13)22-19-17-12-14(21)8-11-18(17)24-25(19,23)16-4-2-1-3-5-16/h1-12,19,22H
InChIKeyPWJDGMBQZVLJFL-UHFFFAOYSA-N
MW479.11 g/mol
LogP6.32
Rot. Bonds3

About 5-bromo-N-(4-bromophenyl)-2-oxo-2-phenyl-3H-1,2λ5-benzoxaphosphol-3-amine

5-bromo-N-(4-bromophenyl)-2-oxo-2-phenyl-3H-1,2λ5-benzoxaphosphol-3-amine (PubChem CID 25243501) has the molecular formula C19H14Br2NO2P and a molecular weight of 479.11 g/mol. Its IUPAC name is 5-bromo-N-(4-bromophenyl)-2-oxo-2-phenyl-3H-1,2λ5-benzoxaphosphol-3-amine.

Molecular Properties

Compound Name5-bromo-N-(4-bromophenyl)-2-oxo-2-phenyl-3H-1,2λ5-benzoxaphosphol-3-amine
PubChem CID25243501
Molecular FormulaC19H14Br2NO2P
Molecular Weight479.11 g/mol
Exact Mass476.91
IUPAC Name5-bromo-N-(4-bromophenyl)-2-oxo-2-phenyl-3H-1,2λ5-benzoxaphosphol-3-amine
SMILESO=P1(c2ccccc2)Oc2ccc(Br)cc2C1Nc1ccc(Br)cc1
InChIInChI=1S/C19H14Br2NO2P/c20-13-6-9-15(10-7-13)22-19-17-12-14(21)8-11-18(17)24-25(19,23)16-4-2-1-3-5-16/h1-12,19,22H
InChIKeyPWJDGMBQZVLJFL-UHFFFAOYSA-N
XLogP6.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.11
LogP ≤ 56.32
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

(3aR,4R,9aS)-6-bromo-N-phenyl-3,3a,4,9a-tetrahydro-2H-furo[2,3-b]chromen-4-amine
CID 101448693
N-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43194572
(1S,9R)-4,12-dibromo-8,16,17-trioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
CID 1226589
2,6-dibromo-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide
CID 15339363
3-anilino-6-bromo-1,3-dihydroindol-2-one
CID 43190041
6-bromo-N-(4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43785841
2-bromo-9-methyl-9H-xanthene
CID 102170918
9-(benzenesulfonyl)-2-bromo-9H-xanthene
CID 23819363
4-amino-6-bromo-3-phenyl-4H-1,3-benzoxazin-2-one
CID 11551478
2-bromo-5-phenylbenzo[b]phosphindole 5-oxide
CID 134327267
2,8-dibromo-10,10-diphenylphenoxathiine
CID 138720140
(3aS,9bR)-8-bromo-1-phenyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole
CID 102262444

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-bromophenyl)-2-oxo-2-phenyl-3H-1,2λ5-benzoxaphosphol-3-amine?
The IUPAC name of 5-bromo-N-(4-bromophenyl)-2-oxo-2-phenyl-3H-1,2λ5-benzoxaphosphol-3-amine (CID 25243501) is 5-bromo-N-(4-bromophenyl)-2-oxo-2-phenyl-3H-1,2λ5-benzoxaphosphol-3-amine.
What is the SMILES notation for 5-bromo-N-(4-bromophenyl)-2-oxo-2-phenyl-3H-1,2λ5-benzoxaphosphol-3-amine?
The canonical SMILES for 5-bromo-N-(4-bromophenyl)-2-oxo-2-phenyl-3H-1,2λ5-benzoxaphosphol-3-amine is O=P1(c2ccccc2)Oc2ccc(Br)cc2C1Nc1ccc(Br)cc1.
What is the InChIKey of 5-bromo-N-(4-bromophenyl)-2-oxo-2-phenyl-3H-1,2λ5-benzoxaphosphol-3-amine?
The InChIKey is PWJDGMBQZVLJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Br2NO2P/c20-13-6-9-15(10-7-13)22-19-17-12-14(21)8-11-18(17)24-25(19,23)16-4-2-1-3-5-16/h1-12,19,22H.
What are the key properties of 5-bromo-N-(4-bromophenyl)-2-oxo-2-phenyl-3H-1,2λ5-benzoxaphosphol-3-amine?
5-bromo-N-(4-bromophenyl)-2-oxo-2-phenyl-3H-1,2λ5-benzoxaphosphol-3-amine has a molecular weight of 479.11 g/mol, XLogP of 6.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-bromophenyl)-2-oxo-2-phenyl-3H-1,2λ5-benzoxaphosphol-3-amine is sourced from PubChem (CID 25243501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).