N-[1-(4-bromophenyl)-3-diphenylphosphoryl-3-phenylpropylidene]hydroxylamine

C27H23BrNO2P — CID 133064792

IUPACN-[1-(4-bromophenyl)-3-diphenylphosphoryl-3-phenylpropylidene]hydroxylamine
SMILESO=P(c1ccccc1)(c1ccccc1)C(CC(=NO)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C27H23BrNO2P/c28-23-18-16-21(17-19-23)26(29-30)20-27(22-10-4-1-5-11-22)32(31,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19,27,30H,20H2
InChIKeyBVHDNMAUGJGBSO-UHFFFAOYSA-N
MW504.36 g/mol
LogP6.77
Rot. Bonds7

About N-[1-(4-bromophenyl)-3-diphenylphosphoryl-3-phenylpropylidene]hydroxylamine

N-[1-(4-bromophenyl)-3-diphenylphosphoryl-3-phenylpropylidene]hydroxylamine (PubChem CID 133064792) has the molecular formula C27H23BrNO2P and a molecular weight of 504.36 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-3-diphenylphosphoryl-3-phenylpropylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-3-diphenylphosphoryl-3-phenylpropylidene]hydroxylamine
PubChem CID133064792
Molecular FormulaC27H23BrNO2P
Molecular Weight504.36 g/mol
Exact Mass503.06
IUPAC NameN-[1-(4-bromophenyl)-3-diphenylphosphoryl-3-phenylpropylidene]hydroxylamine
SMILESO=P(c1ccccc1)(c1ccccc1)C(CC(=NO)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C27H23BrNO2P/c28-23-18-16-21(17-19-23)26(29-30)20-27(22-10-4-1-5-11-22)32(31,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19,27,30H,20H2
InChIKeyBVHDNMAUGJGBSO-UHFFFAOYSA-N
XLogP6.77
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.36
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-[1-(4-bromophenyl)-3-diphenylphosphoryl-3-phenylpropylidene]hydroxylamine 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

(3S)-1-(4-bromophenyl)-3-diphenylphosphoryl-3-phenylpropan-1-one
CID 102126305
(2R,4E)-4-(4-bromophenyl)-2-diphenylphosphoryl-4-hydroxyiminobutanoic acid
CID 92535132
methyl 3-diphenylphosphoryl-3-phenylpropanoate
CID 139256756
methyl (3R)-3-diphenylphosphoryl-3-phenylpropanoate
CID 102493910
(3R)-3-diphenylphosphoryl-1-(4-methoxyphenyl)-3-phenylpropan-1-one
CID 135057690
(NZ)-N-[(5Z)-5-hydroxyimino-1,3,5-triphenylpentylidene]hydroxylamine
CID 74229627
3-(4-bromophenyl)-4-diphenylphosphoryl-4-fluoro-1-phenylbut-3-en-1-ol
CID 175524020
(Z)-3-(4-bromophenyl)-4-diphenylphosphoryl-4-fluoro-1-phenylbut-3-en-1-ol
CID 170557620
N-[1-(4-bromophenyl)-3-phenylbut-3-enylidene]hydroxylamine
CID 166520929
1-(4-bromophenyl)-3-phenylbutan-1-one
CID 143974800
N-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine
CID 154041535
3-(4-bromoanilino)-1-(4-bromophenyl)-3-phenylpropan-1-one
CID 15731336

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-3-diphenylphosphoryl-3-phenylpropylidene]hydroxylamine?
The IUPAC name of N-[1-(4-bromophenyl)-3-diphenylphosphoryl-3-phenylpropylidene]hydroxylamine (CID 133064792) is N-[1-(4-bromophenyl)-3-diphenylphosphoryl-3-phenylpropylidene]hydroxylamine.
What is the SMILES notation for N-[1-(4-bromophenyl)-3-diphenylphosphoryl-3-phenylpropylidene]hydroxylamine?
The canonical SMILES for N-[1-(4-bromophenyl)-3-diphenylphosphoryl-3-phenylpropylidene]hydroxylamine is O=P(c1ccccc1)(c1ccccc1)C(CC(=NO)c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of N-[1-(4-bromophenyl)-3-diphenylphosphoryl-3-phenylpropylidene]hydroxylamine?
The InChIKey is BVHDNMAUGJGBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23BrNO2P/c28-23-18-16-21(17-19-23)26(29-30)20-27(22-10-4-1-5-11-22)32(31,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19,27,30H,20H2.
What are the key properties of N-[1-(4-bromophenyl)-3-diphenylphosphoryl-3-phenylpropylidene]hydroxylamine?
N-[1-(4-bromophenyl)-3-diphenylphosphoryl-3-phenylpropylidene]hydroxylamine has a molecular weight of 504.36 g/mol, XLogP of 6.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)-3-diphenylphosphoryl-3-phenylpropylidene]hydroxylamine is sourced from PubChem (CID 133064792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).