N-bis(2-fluorophenoxy)phosphoryl-3-methoxyaniline

C19H16F2NO4P — CID 2313179

IUPACN-bis(2-fluorophenoxy)phosphoryl-3-methoxyaniline
SMILESCOc1cccc(NP(=O)(Oc2ccccc2F)Oc2ccccc2F)c1
InChIInChI=1S/C19H16F2NO4P/c1-24-15-8-6-7-14(13-15)22-27(23,25-18-11-4-2-9-16(18)20)26-19-12-5-3-10-17(19)21/h2-13H,1H3,(H,22,23)
InChIKeyZPNYPJJHPJZZOB-UHFFFAOYSA-N
MW391.31 g/mol
LogP5.65
Rot. Bonds7

About N-bis(2-fluorophenoxy)phosphoryl-3-methoxyaniline

N-bis(2-fluorophenoxy)phosphoryl-3-methoxyaniline (PubChem CID 2313179) has the molecular formula C19H16F2NO4P and a molecular weight of 391.31 g/mol. Its IUPAC name is N-bis(2-fluorophenoxy)phosphoryl-3-methoxyaniline.

Molecular Properties

Compound NameN-bis(2-fluorophenoxy)phosphoryl-3-methoxyaniline
PubChem CID2313179
Molecular FormulaC19H16F2NO4P
Molecular Weight391.31 g/mol
Exact Mass391.08
IUPAC NameN-bis(2-fluorophenoxy)phosphoryl-3-methoxyaniline
SMILESCOc1cccc(NP(=O)(Oc2ccccc2F)Oc2ccccc2F)c1
InChIInChI=1S/C19H16F2NO4P/c1-24-15-8-6-7-14(13-15)22-27(23,25-18-11-4-2-9-16(18)20)26-19-12-5-3-10-17(19)21/h2-13H,1H3,(H,22,23)
InChIKeyZPNYPJJHPJZZOB-UHFFFAOYSA-N
XLogP5.65
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.31
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-bis(2-fluorophenoxy)phosphoryl-2,4,6-trimethylaniline
CID 2067423
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
1-fluoro-2-methoxybenzene;3-methoxyaniline
CID 174853611
2,6-difluoro-N-[(3-methoxyphenyl)carbamoyl]benzamide
CID 15740316
(3-methoxyphenyl)hydrazine;phosphoric acid
CID 138619503
2-fluoro-5-(3-methoxyanilino)benzoic acid
CID 82537034
[2-(3-methoxyanilino)-2-oxoethyl] 2-fluorobenzoate
CID 2427280
N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806261
1-fluoro-4-methoxy-2-phenoxybenzene
CID 162127309
N-[(2-fluorophenoxy)-methylphosphoryl]-4-methylaniline
CID 2313149
1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985
6-N-(3,4-difluorophenyl)-2-N-(3-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100953

Frequently Asked Questions

What is the IUPAC name of N-bis(2-fluorophenoxy)phosphoryl-3-methoxyaniline?
The IUPAC name of N-bis(2-fluorophenoxy)phosphoryl-3-methoxyaniline (CID 2313179) is N-bis(2-fluorophenoxy)phosphoryl-3-methoxyaniline.
What is the SMILES notation for N-bis(2-fluorophenoxy)phosphoryl-3-methoxyaniline?
The canonical SMILES for N-bis(2-fluorophenoxy)phosphoryl-3-methoxyaniline is COc1cccc(NP(=O)(Oc2ccccc2F)Oc2ccccc2F)c1.
What is the InChIKey of N-bis(2-fluorophenoxy)phosphoryl-3-methoxyaniline?
The InChIKey is ZPNYPJJHPJZZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2NO4P/c1-24-15-8-6-7-14(13-15)22-27(23,25-18-11-4-2-9-16(18)20)26-19-12-5-3-10-17(19)21/h2-13H,1H3,(H,22,23).
What are the key properties of N-bis(2-fluorophenoxy)phosphoryl-3-methoxyaniline?
N-bis(2-fluorophenoxy)phosphoryl-3-methoxyaniline has a molecular weight of 391.31 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(2-fluorophenoxy)phosphoryl-3-methoxyaniline is sourced from PubChem (CID 2313179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).