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

C20H18F2NO3P — CID 2272797

IUPACN-bis(2-fluorophenoxy)phosphoryl-4-ethylaniline
SMILESCCc1ccc(NP(=O)(Oc2ccccc2F)Oc2ccccc2F)cc1
InChIInChI=1S/C20H18F2NO3P/c1-2-15-11-13-16(14-12-15)23-27(24,25-19-9-5-3-7-17(19)21)26-20-10-6-4-8-18(20)22/h3-14H,2H2,1H3,(H,23,24)
InChIKeyMYQUAOCBKKLRBC-UHFFFAOYSA-N
MW389.34 g/mol
LogP6.21
Rot. Bonds7

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

N-bis(2-fluorophenoxy)phosphoryl-4-ethylaniline (PubChem CID 2272797) has the molecular formula C20H18F2NO3P and a molecular weight of 389.34 g/mol. Its IUPAC name is N-bis(2-fluorophenoxy)phosphoryl-4-ethylaniline.

Molecular Properties

Compound NameN-bis(2-fluorophenoxy)phosphoryl-4-ethylaniline
PubChem CID2272797
Molecular FormulaC20H18F2NO3P
Molecular Weight389.34 g/mol
Exact Mass389.10
IUPAC NameN-bis(2-fluorophenoxy)phosphoryl-4-ethylaniline
SMILESCCc1ccc(NP(=O)(Oc2ccccc2F)Oc2ccccc2F)cc1
InChIInChI=1S/C20H18F2NO3P/c1-2-15-11-13-16(14-12-15)23-27(24,25-19-9-5-3-7-17(19)21)26-20-10-6-4-8-18(20)22/h3-14H,2H2,1H3,(H,23,24)
InChIKeyMYQUAOCBKKLRBC-UHFFFAOYSA-N
XLogP6.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.34
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diphenyl N-phenylphosphoramidate
CID 19708
1-Fluoro-4-{[methyl(phenylamino)phosphoryl]oxy}benzene
CID 752278
N-diphenoxyphosphoryl-2,3-dimethylaniline
CID 2313167
3,5-dimethylphenyl N-(2,4-dimethylphenyl)-P-methylphosphonamidoate
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
Bis(3-methylphenyl) (4-fluorophenyl)amidophosphate
CID 2067177
N-bis(2-fluorophenoxy)phosphoryl-4-methylaniline
CID 2244588
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

Frequently Asked Questions

What is the IUPAC name of N-bis(2-fluorophenoxy)phosphoryl-4-ethylaniline?
The IUPAC name of N-bis(2-fluorophenoxy)phosphoryl-4-ethylaniline (CID 2272797) is N-bis(2-fluorophenoxy)phosphoryl-4-ethylaniline.
What is the SMILES notation for N-bis(2-fluorophenoxy)phosphoryl-4-ethylaniline?
The canonical SMILES for N-bis(2-fluorophenoxy)phosphoryl-4-ethylaniline is CCc1ccc(NP(=O)(Oc2ccccc2F)Oc2ccccc2F)cc1.
What is the InChIKey of N-bis(2-fluorophenoxy)phosphoryl-4-ethylaniline?
The InChIKey is MYQUAOCBKKLRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2NO3P/c1-2-15-11-13-16(14-12-15)23-27(24,25-19-9-5-3-7-17(19)21)26-20-10-6-4-8-18(20)22/h3-14H,2H2,1H3,(H,23,24).
What are the key properties of N-bis(2-fluorophenoxy)phosphoryl-4-ethylaniline?
N-bis(2-fluorophenoxy)phosphoryl-4-ethylaniline has a molecular weight of 389.34 g/mol, XLogP of 6.21, 7 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-ethylaniline is sourced from PubChem (CID 2272797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).