N-bis(2-fluorophenoxy)phosphoryl-4-methylaniline

C19H16F2NO3P — CID 2244588

IUPACN-bis(2-fluorophenoxy)phosphoryl-4-methylaniline
SMILESCc1ccc(NP(=O)(Oc2ccccc2F)Oc2ccccc2F)cc1
InChIInChI=1S/C19H16F2NO3P/c1-14-10-12-15(13-11-14)22-26(23,24-18-8-4-2-6-16(18)20)25-19-9-5-3-7-17(19)21/h2-13H,1H3,(H,22,23)
InChIKeyJGQGXGLMAKDLBO-UHFFFAOYSA-N
MW375.31 g/mol
LogP5.95
Rot. Bonds6

About N-bis(2-fluorophenoxy)phosphoryl-4-methylaniline

N-bis(2-fluorophenoxy)phosphoryl-4-methylaniline (PubChem CID 2244588) has the molecular formula C19H16F2NO3P and a molecular weight of 375.31 g/mol. Its IUPAC name is N-bis(2-fluorophenoxy)phosphoryl-4-methylaniline.

Molecular Properties

Compound NameN-bis(2-fluorophenoxy)phosphoryl-4-methylaniline
PubChem CID2244588
Molecular FormulaC19H16F2NO3P
Molecular Weight375.31 g/mol
Exact Mass375.08
IUPAC NameN-bis(2-fluorophenoxy)phosphoryl-4-methylaniline
SMILESCc1ccc(NP(=O)(Oc2ccccc2F)Oc2ccccc2F)cc1
InChIInChI=1S/C19H16F2NO3P/c1-14-10-12-15(13-11-14)22-26(23,24-18-8-4-2-6-16(18)20)25-19-9-5-3-7-17(19)21/h2-13H,1H3,(H,22,23)
InChIKeyJGQGXGLMAKDLBO-UHFFFAOYSA-N
XLogP5.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.31
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-bis(2-fluorophenoxy)phosphoryl-4-methylaniline 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

Diphenyl N-phenylphosphoramidate
CID 19708
1-Fluoro-4-{[methyl(phenylamino)phosphoryl]oxy}benzene
CID 752278
N-diphenoxyphosphoryl-2,3-dimethylaniline
CID 2313167
N-[(3,5-Dimethylphenoxy)(methyl)phosphoryl]-2,4-dimethylaniline
CID 752258
N-bis(2-fluorophenoxy)phosphoryl-2-methylaniline
CID 1618088
Bis(2-fluorophenyl) (2,3-dimethylphenyl)phosphoramidate
CID 1858616
N-bis(2-fluorophenoxy)phosphoryl-3,4-dimethylaniline
CID 1912719
N-bis(3-methylphenoxy)phosphoryl-4-fluoroaniline
CID 2067177
4-methyl-N-[(4-methylanilino)-phenoxyphosphoryl]aniline
CID 2305212
2-fluoro-N-[methyl(phenoxy)phosphoryl]aniline
CID 2313145
Phosphorodiamidic acid, N,N'-diphenyl-, phenyl ester
CID 2305213
N-bis(phenylmethoxy)phosphorylaniline
CID 275754

Frequently Asked Questions

What is the IUPAC name of N-bis(2-fluorophenoxy)phosphoryl-4-methylaniline?
The IUPAC name of N-bis(2-fluorophenoxy)phosphoryl-4-methylaniline (CID 2244588) is N-bis(2-fluorophenoxy)phosphoryl-4-methylaniline.
What is the SMILES notation for N-bis(2-fluorophenoxy)phosphoryl-4-methylaniline?
The canonical SMILES for N-bis(2-fluorophenoxy)phosphoryl-4-methylaniline is Cc1ccc(NP(=O)(Oc2ccccc2F)Oc2ccccc2F)cc1.
What is the InChIKey of N-bis(2-fluorophenoxy)phosphoryl-4-methylaniline?
The InChIKey is JGQGXGLMAKDLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2NO3P/c1-14-10-12-15(13-11-14)22-26(23,24-18-8-4-2-6-16(18)20)25-19-9-5-3-7-17(19)21/h2-13H,1H3,(H,22,23).
What are the key properties of N-bis(2-fluorophenoxy)phosphoryl-4-methylaniline?
N-bis(2-fluorophenoxy)phosphoryl-4-methylaniline has a molecular weight of 375.31 g/mol, XLogP of 5.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(2-fluorophenoxy)phosphoryl-4-methylaniline is sourced from PubChem (CID 2244588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).