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

C19H16Cl2NO4P — CID 2305270

IUPACN-bis(2-chlorophenoxy)phosphoryl-3-methoxyaniline
SMILESCOc1cccc(NP(=O)(Oc2ccccc2Cl)Oc2ccccc2Cl)c1
InChIInChI=1S/C19H16Cl2NO4P/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)
InChIKeyWGAUIKQUMPSQOC-UHFFFAOYSA-N
MW424.22 g/mol
LogP6.68
Rot. Bonds7

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

N-bis(2-chlorophenoxy)phosphoryl-3-methoxyaniline (PubChem CID 2305270) has the molecular formula C19H16Cl2NO4P and a molecular weight of 424.22 g/mol. Its IUPAC name is N-bis(2-chlorophenoxy)phosphoryl-3-methoxyaniline.

Molecular Properties

Compound NameN-bis(2-chlorophenoxy)phosphoryl-3-methoxyaniline
PubChem CID2305270
Molecular FormulaC19H16Cl2NO4P
Molecular Weight424.22 g/mol
Exact Mass423.02
IUPAC NameN-bis(2-chlorophenoxy)phosphoryl-3-methoxyaniline
SMILESCOc1cccc(NP(=O)(Oc2ccccc2Cl)Oc2ccccc2Cl)c1
InChIInChI=1S/C19H16Cl2NO4P/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)
InChIKeyWGAUIKQUMPSQOC-UHFFFAOYSA-N
XLogP6.68
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.22
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-bis(2-chlorophenoxy)phosphoryl-3-methoxyaniline 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

N-diphenoxyphosphoryl-3-methoxyaniline
CID 2305383
N-bis(4-chlorophenoxy)phosphoryl-3-methoxyaniline
CID 1613471
N-bis(4-chlorophenoxy)phosphoryl-3,4-dimethoxyaniline
CID 2272804
Bis(4-chlorophenyl) (2,5-dimethoxyphenyl)amidophosphate
CID 2272806
2-Chlorophenyl phosphoro-4-anisidochloridate
CID 133944
N-bis(2-fluorophenoxy)phosphoryl-3-chloro-4-methoxyaniline
CID 1615697
N-bis(2-fluorophenoxy)phosphoryl-3-methoxyaniline
CID 2313179
4-chloro-N-[chloromethyl(phenyl)phosphoryl]-2-fluoro-5-propan-2-yloxyaniline
CID 10667220
4-Chloro-2,5-dimethoxyaniline;diphenyl hydrogen phosphate
CID 256975
Bis(2-chlorophenyl) 4-chlorophenylamidophosphate
CID 1612532
Bis(4-chlorophenyl) (4-isopropoxyphenyl)amidophosphate
CID 1621474
N-bis(2-chlorophenoxy)phosphoryl-2-methoxyaniline
CID 2305274

Frequently Asked Questions

What is the IUPAC name of N-bis(2-chlorophenoxy)phosphoryl-3-methoxyaniline?
The IUPAC name of N-bis(2-chlorophenoxy)phosphoryl-3-methoxyaniline (CID 2305270) is N-bis(2-chlorophenoxy)phosphoryl-3-methoxyaniline.
What is the SMILES notation for N-bis(2-chlorophenoxy)phosphoryl-3-methoxyaniline?
The canonical SMILES for N-bis(2-chlorophenoxy)phosphoryl-3-methoxyaniline is COc1cccc(NP(=O)(Oc2ccccc2Cl)Oc2ccccc2Cl)c1.
What is the InChIKey of N-bis(2-chlorophenoxy)phosphoryl-3-methoxyaniline?
The InChIKey is WGAUIKQUMPSQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2NO4P/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-chlorophenoxy)phosphoryl-3-methoxyaniline?
N-bis(2-chlorophenoxy)phosphoryl-3-methoxyaniline has a molecular weight of 424.22 g/mol, XLogP of 6.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(2-chlorophenoxy)phosphoryl-3-methoxyaniline is sourced from PubChem (CID 2305270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).