N-bis(2-chloro-2-phenylethenyl)phosphoryl-4-fluoroaniline

C22H17Cl2FNOP — CID 3661620

IUPACN-bis(2-chloro-2-phenylethenyl)phosphoryl-4-fluoroaniline
SMILESO=P(C=C(Cl)c1ccccc1)(C=C(Cl)c1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C22H17Cl2FNOP/c23-21(17-7-3-1-4-8-17)15-28(27,26-20-13-11-19(25)12-14-20)16-22(24)18-9-5-2-6-10-18/h1-16H,(H,26,27)
InChIKeyKYKVVIFMXYJRNE-UHFFFAOYSA-N
MW432.26 g/mol
LogP7.99
Rot. Bonds6

About N-bis(2-chloro-2-phenylethenyl)phosphoryl-4-fluoroaniline

N-bis(2-chloro-2-phenylethenyl)phosphoryl-4-fluoroaniline (PubChem CID 3661620) has the molecular formula C22H17Cl2FNOP and a molecular weight of 432.26 g/mol. Its IUPAC name is N-bis(2-chloro-2-phenylethenyl)phosphoryl-4-fluoroaniline.

Molecular Properties

Compound NameN-bis(2-chloro-2-phenylethenyl)phosphoryl-4-fluoroaniline
PubChem CID3661620
Molecular FormulaC22H17Cl2FNOP
Molecular Weight432.26 g/mol
Exact Mass431.04
IUPAC NameN-bis(2-chloro-2-phenylethenyl)phosphoryl-4-fluoroaniline
SMILESO=P(C=C(Cl)c1ccccc1)(C=C(Cl)c1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C22H17Cl2FNOP/c23-21(17-7-3-1-4-8-17)15-28(27,26-20-13-11-19(25)12-14-20)16-22(24)18-9-5-2-6-10-18/h1-16H,(H,26,27)
InChIKeyKYKVVIFMXYJRNE-UHFFFAOYSA-N
XLogP7.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.26
LogP ≤ 57.99
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

3,4-dichloro-N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]aniline
CID 39921399
N-[[(Z)-2-chloro-2-phenylethenyl]-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-phenylmethoxyaniline
CID 39923516
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-chloroaniline
CID 6257382
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-1,3,4-thiadiazol-2-amine
CID 6032031
[(Z)-2-chloro-2-phenylethenyl]phosphonic acid
CID 2249320
bis(2-chloro-2-phenylethenyl)phosphinic acid
CID 71361509
N-diphenylphosphoryl-4-fluoroaniline
CID 23234466
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-phenylethanamine
CID 2307241
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2,5-dimethoxyaniline
CID 2317744
[2-[[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]amino]-4-phenyl-1,3-thiazol-5-yl]-phenylmethanone
CID 84583050
N-[(2-chloro-2-phenylethenyl)-[(E)-2-chloro-2-phenylethenyl]phosphoryl]-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 84583044
4-benzoyl-N-(4-fluorophenyl)benzamide
CID 2315903

Frequently Asked Questions

What is the IUPAC name of N-bis(2-chloro-2-phenylethenyl)phosphoryl-4-fluoroaniline?
The IUPAC name of N-bis(2-chloro-2-phenylethenyl)phosphoryl-4-fluoroaniline (CID 3661620) is N-bis(2-chloro-2-phenylethenyl)phosphoryl-4-fluoroaniline.
What is the SMILES notation for N-bis(2-chloro-2-phenylethenyl)phosphoryl-4-fluoroaniline?
The canonical SMILES for N-bis(2-chloro-2-phenylethenyl)phosphoryl-4-fluoroaniline is O=P(C=C(Cl)c1ccccc1)(C=C(Cl)c1ccccc1)Nc1ccc(F)cc1.
What is the InChIKey of N-bis(2-chloro-2-phenylethenyl)phosphoryl-4-fluoroaniline?
The InChIKey is KYKVVIFMXYJRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2FNOP/c23-21(17-7-3-1-4-8-17)15-28(27,26-20-13-11-19(25)12-14-20)16-22(24)18-9-5-2-6-10-18/h1-16H,(H,26,27).
What are the key properties of N-bis(2-chloro-2-phenylethenyl)phosphoryl-4-fluoroaniline?
N-bis(2-chloro-2-phenylethenyl)phosphoryl-4-fluoroaniline has a molecular weight of 432.26 g/mol, XLogP of 7.99, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(2-chloro-2-phenylethenyl)phosphoryl-4-fluoroaniline is sourced from PubChem (CID 3661620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).