2-[[(E)-1-[bromo(triphenyl)-λ5-phosphanyl]prop-1-en-2-yl]amino]benzamide

C28H26BrN2OP — CID 134868727

IUPAC2-[[(E)-1-[bromo(triphenyl)-λ5-phosphanyl]prop-1-en-2-yl]amino]benzamide
SMILESC/C(=C\P(Br)(c1ccccc1)(c1ccccc1)c1ccccc1)Nc1ccccc1C(N)=O
InChIInChI=1S/C28H26BrN2OP/c1-22(31-27-20-12-11-19-26(27)28(30)32)21-33(29,23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-21,31H,1H3,(H2,30,32)/b22-21+
InChIKeyGWHQGHOPAGMEPY-QURGRASLSA-N
MW517.41 g/mol
LogP5.90
Rot. Bonds7

About 2-[[(E)-1-[bromo(triphenyl)-λ5-phosphanyl]prop-1-en-2-yl]amino]benzamide

2-[[(E)-1-[bromo(triphenyl)-λ5-phosphanyl]prop-1-en-2-yl]amino]benzamide (PubChem CID 134868727) has the molecular formula C28H26BrN2OP and a molecular weight of 517.41 g/mol. Its IUPAC name is 2-[[(E)-1-[bromo(triphenyl)-λ5-phosphanyl]prop-1-en-2-yl]amino]benzamide.

Molecular Properties

Compound Name2-[[(E)-1-[bromo(triphenyl)-λ5-phosphanyl]prop-1-en-2-yl]amino]benzamide
PubChem CID134868727
Molecular FormulaC28H26BrN2OP
Molecular Weight517.41 g/mol
Exact Mass516.10
IUPAC Name2-[[(E)-1-[bromo(triphenyl)-λ5-phosphanyl]prop-1-en-2-yl]amino]benzamide
SMILESC/C(=C\P(Br)(c1ccccc1)(c1ccccc1)c1ccccc1)Nc1ccccc1C(N)=O
InChIInChI=1S/C28H26BrN2OP/c1-22(31-27-20-12-11-19-26(27)28(30)32)21-33(29,23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-21,31H,1H3,(H2,30,32)/b22-21+
InChIKeyGWHQGHOPAGMEPY-QURGRASLSA-N
XLogP5.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.41
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[(E)-1-[bromo(triphenyl)-λ5-phosphanyl]prop-1-en-2-yl]amino]benzoate
CID 134869217
2-[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]benzamide
CID 2187766
2-(2-bromopropanoylamino)benzamide
CID 14588064
2-(2-bromobutanoylamino)benzamide
CID 23323526
2-(3-aminopropanoylamino)benzamide
CID 22692052
2-benzamidobenzamide
CID 702115
methyl 3-(2-carbamoylanilino)-3-oxopropanoate
CID 25049818
2-aminoacetic acid;2-[(2-hydroxyacetyl)amino]benzamide
CID 175957439
2-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119673012
2-(2,2-dimethylbutanoylamino)benzamide
CID 3914045
2-[[(E)-4-hydroxybut-2-enoyl]amino]benzamide
CID 144832768
2-[(1-phenylcyclopentanecarbonyl)amino]benzamide
CID 28624302

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-1-[bromo(triphenyl)-λ5-phosphanyl]prop-1-en-2-yl]amino]benzamide?
The IUPAC name of 2-[[(E)-1-[bromo(triphenyl)-λ5-phosphanyl]prop-1-en-2-yl]amino]benzamide (CID 134868727) is 2-[[(E)-1-[bromo(triphenyl)-λ5-phosphanyl]prop-1-en-2-yl]amino]benzamide.
What is the SMILES notation for 2-[[(E)-1-[bromo(triphenyl)-λ5-phosphanyl]prop-1-en-2-yl]amino]benzamide?
The canonical SMILES for 2-[[(E)-1-[bromo(triphenyl)-λ5-phosphanyl]prop-1-en-2-yl]amino]benzamide is C/C(=C\P(Br)(c1ccccc1)(c1ccccc1)c1ccccc1)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[[(E)-1-[bromo(triphenyl)-λ5-phosphanyl]prop-1-en-2-yl]amino]benzamide?
The InChIKey is GWHQGHOPAGMEPY-QURGRASLSA-N. The full InChI is InChI=1S/C28H26BrN2OP/c1-22(31-27-20-12-11-19-26(27)28(30)32)21-33(29,23-13-5-2-6-14-23,24-15-7-3-8-16-24)25-17-9-4-10-18-25/h2-21,31H,1H3,(H2,30,32)/b22-21+.
What are the key properties of 2-[[(E)-1-[bromo(triphenyl)-λ5-phosphanyl]prop-1-en-2-yl]amino]benzamide?
2-[[(E)-1-[bromo(triphenyl)-λ5-phosphanyl]prop-1-en-2-yl]amino]benzamide has a molecular weight of 517.41 g/mol, XLogP of 5.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-1-[bromo(triphenyl)-λ5-phosphanyl]prop-1-en-2-yl]amino]benzamide is sourced from PubChem (CID 134868727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).