N-bis(4-chlorophenoxy)phosphoryl-2,5-dimethoxyaniline

C20H18Cl2NO5P — CID 2272806

IUPACN-bis(4-chlorophenoxy)phosphoryl-2,5-dimethoxyaniline
SMILESCOc1ccc(OC)c(NP(=O)(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H18Cl2NO5P/c1-25-18-11-12-20(26-2)19(13-18)23-29(24,27-16-7-3-14(21)4-8-16)28-17-9-5-15(22)6-10-17/h3-13H,1-2H3,(H,23,24)
InChIKeyVHGCZSZNZNKDBO-UHFFFAOYSA-N
MW454.25 g/mol
LogP6.69
Rot. Bonds8

About N-bis(4-chlorophenoxy)phosphoryl-2,5-dimethoxyaniline

N-bis(4-chlorophenoxy)phosphoryl-2,5-dimethoxyaniline (PubChem CID 2272806) has the molecular formula C20H18Cl2NO5P and a molecular weight of 454.25 g/mol. Its IUPAC name is N-bis(4-chlorophenoxy)phosphoryl-2,5-dimethoxyaniline.

Molecular Properties

Compound NameN-bis(4-chlorophenoxy)phosphoryl-2,5-dimethoxyaniline
PubChem CID2272806
Molecular FormulaC20H18Cl2NO5P
Molecular Weight454.25 g/mol
Exact Mass453.03
IUPAC NameN-bis(4-chlorophenoxy)phosphoryl-2,5-dimethoxyaniline
SMILESCOc1ccc(OC)c(NP(=O)(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H18Cl2NO5P/c1-25-18-11-12-20(26-2)19(13-18)23-29(24,27-16-7-3-14(21)4-8-16)28-17-9-5-15(22)6-10-17/h3-13H,1-2H3,(H,23,24)
InChIKeyVHGCZSZNZNKDBO-UHFFFAOYSA-N
XLogP6.69
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.25
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-bis(4-chlorophenoxy)phosphoryl-5-chloro-2-methoxyaniline
CID 2066688
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)-2-methylpropanamide
CID 3657024
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4943920
5-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)furan-2-carboxamide
CID 3393060
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2,5-dimethoxyaniline
CID 2317744
1-(4-chlorophenyl)-3-(2,5-dimethoxyanilino)but-2-en-1-one
CID 799459
2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 846639
N-(5-chloro-2-methoxyphenyl)-6-methoxynaphthalene-2-sulfonamide
CID 100666504
1-N-(5-chloro-2-methylphenyl)-2-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143056
2-[2-(4-chlorophenyl)ethylamino]-N-(2,5-dimethoxyphenyl)acetamide
CID 109002869
N-(4-chloro-2-iodophenyl)-2,5-dimethoxybenzamide
CID 103766869
2-(4-chlorophenyl)-N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]acetamide
CID 113048759

Frequently Asked Questions

What is the IUPAC name of N-bis(4-chlorophenoxy)phosphoryl-2,5-dimethoxyaniline?
The IUPAC name of N-bis(4-chlorophenoxy)phosphoryl-2,5-dimethoxyaniline (CID 2272806) is N-bis(4-chlorophenoxy)phosphoryl-2,5-dimethoxyaniline.
What is the SMILES notation for N-bis(4-chlorophenoxy)phosphoryl-2,5-dimethoxyaniline?
The canonical SMILES for N-bis(4-chlorophenoxy)phosphoryl-2,5-dimethoxyaniline is COc1ccc(OC)c(NP(=O)(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)c1.
What is the InChIKey of N-bis(4-chlorophenoxy)phosphoryl-2,5-dimethoxyaniline?
The InChIKey is VHGCZSZNZNKDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2NO5P/c1-25-18-11-12-20(26-2)19(13-18)23-29(24,27-16-7-3-14(21)4-8-16)28-17-9-5-15(22)6-10-17/h3-13H,1-2H3,(H,23,24).
What are the key properties of N-bis(4-chlorophenoxy)phosphoryl-2,5-dimethoxyaniline?
N-bis(4-chlorophenoxy)phosphoryl-2,5-dimethoxyaniline has a molecular weight of 454.25 g/mol, XLogP of 6.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(4-chlorophenoxy)phosphoryl-2,5-dimethoxyaniline is sourced from PubChem (CID 2272806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).