N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-phenylethanamine

C24H22Cl2NOP — CID 2307241

IUPACN-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-phenylethanamine
SMILESO=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)NCCc1ccccc1
InChIInChI=1S/C24H22Cl2NOP/c25-23(21-12-6-2-7-13-21)18-29(28,19-24(26)22-14-8-3-9-15-22)27-17-16-20-10-4-1-5-11-20/h1-15,18-19H,16-17H2,(H,27,28)/b23-18-,24-19-
InChIKeyBIHAPUMWPVXHHS-KVOJEJHXSA-N
MW442.33 g/mol
LogP7.57
Rot. Bonds8

About N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-phenylethanamine

N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-phenylethanamine (PubChem CID 2307241) has the molecular formula C24H22Cl2NOP and a molecular weight of 442.33 g/mol. Its IUPAC name is N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-phenylethanamine.

Molecular Properties

Compound NameN-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-phenylethanamine
PubChem CID2307241
Molecular FormulaC24H22Cl2NOP
Molecular Weight442.33 g/mol
Exact Mass441.08
IUPAC NameN-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-phenylethanamine
SMILESO=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)NCCc1ccccc1
InChIInChI=1S/C24H22Cl2NOP/c25-23(21-12-6-2-7-13-21)18-29(28,19-24(26)22-14-8-3-9-15-22)27-17-16-20-10-4-1-5-11-20/h1-15,18-19H,16-17H2,(H,27,28)/b23-18-,24-19-
InChIKeyBIHAPUMWPVXHHS-KVOJEJHXSA-N
XLogP7.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.33
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-2-chloro-2-phenylethenyl]phosphonic acid
CID 2249320
[(E)-1-chloro-4-phenylbut-1-enyl]benzene
CID 22020271
[(Z)-1-chloro-2-diethoxyphosphorylethenyl]benzene
CID 5357177
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-N-ethylethanamine
CID 6307479
[(E)-1-chloro-2-diethoxyphosphorylethenyl]benzene
CID 92533089
N-[2-(2-phenylethylsulfamoyl)ethyl]benzamide
CID 7423263
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
N-diphenoxyphosphoryl-2-phenylethanamine
CID 26793774
2-dichlorophosphorylethylbenzene
CID 15169214
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2,5-dimethoxyaniline
CID 2317744
N-chloro-2-phenylethanamine
CID 18184165
N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazol-2-amine
CID 2323027

Frequently Asked Questions

What is the IUPAC name of N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-phenylethanamine?
The IUPAC name of N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-phenylethanamine (CID 2307241) is N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-phenylethanamine.
What is the SMILES notation for N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-phenylethanamine?
The canonical SMILES for N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-phenylethanamine is O=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)NCCc1ccccc1.
What is the InChIKey of N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-phenylethanamine?
The InChIKey is BIHAPUMWPVXHHS-KVOJEJHXSA-N. The full InChI is InChI=1S/C24H22Cl2NOP/c25-23(21-12-6-2-7-13-21)18-29(28,19-24(26)22-14-8-3-9-15-22)27-17-16-20-10-4-1-5-11-20/h1-15,18-19H,16-17H2,(H,27,28)/b23-18-,24-19-.
What are the key properties of N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-phenylethanamine?
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-phenylethanamine has a molecular weight of 442.33 g/mol, XLogP of 7.57, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-phenylethanamine is sourced from PubChem (CID 2307241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).