N-bis(4-chlorophenoxy)phosphoryl-5-chloro-2-methoxyaniline

C19H15Cl3NO4P — CID 2066688

IUPACN-bis(4-chlorophenoxy)phosphoryl-5-chloro-2-methoxyaniline
SMILESCOc1ccc(Cl)cc1NP(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C19H15Cl3NO4P/c1-25-19-11-6-15(22)12-18(19)23-28(24,26-16-7-2-13(20)3-8-16)27-17-9-4-14(21)5-10-17/h2-12H,1H3,(H,23,24)
InChIKeyQGFZSXZXOKVRSN-UHFFFAOYSA-N
MW458.67 g/mol
LogP7.33
Rot. Bonds7

About N-bis(4-chlorophenoxy)phosphoryl-5-chloro-2-methoxyaniline

N-bis(4-chlorophenoxy)phosphoryl-5-chloro-2-methoxyaniline (PubChem CID 2066688) has the molecular formula C19H15Cl3NO4P and a molecular weight of 458.67 g/mol. Its IUPAC name is N-bis(4-chlorophenoxy)phosphoryl-5-chloro-2-methoxyaniline.

Molecular Properties

Compound NameN-bis(4-chlorophenoxy)phosphoryl-5-chloro-2-methoxyaniline
PubChem CID2066688
Molecular FormulaC19H15Cl3NO4P
Molecular Weight458.67 g/mol
Exact Mass456.98
IUPAC NameN-bis(4-chlorophenoxy)phosphoryl-5-chloro-2-methoxyaniline
SMILESCOc1ccc(Cl)cc1NP(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C19H15Cl3NO4P/c1-25-19-11-6-15(22)12-18(19)23-28(24,26-16-7-2-13(20)3-8-16)27-17-9-4-14(21)5-10-17/h2-12H,1H3,(H,23,24)
InChIKeyQGFZSXZXOKVRSN-UHFFFAOYSA-N
XLogP7.33
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.67
LogP ≤ 57.33
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

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CID 2272806
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CID 2272799
(4-methoxyphenyl) N-(5-chloro-2-methoxyphenyl)carbamate
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CID 881730
5-chloro-N-[(2-methoxyphenoxy)-methylphosphoryl]-2-methylaniline
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4-chloro-2-(diazonioamino)-1-methoxybenzene
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5-chloro-2-methoxy-N-(2-methoxyphenyl)aniline
CID 10264756
(5-chloro-2-methoxyphenyl)hydrazine;oxalic acid
CID 175007834
N-[4-(5-chloro-2-methoxyanilino)phenyl]-4-methoxybenzamide
CID 112987245
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CID 1047673

Frequently Asked Questions

What is the IUPAC name of N-bis(4-chlorophenoxy)phosphoryl-5-chloro-2-methoxyaniline?
The IUPAC name of N-bis(4-chlorophenoxy)phosphoryl-5-chloro-2-methoxyaniline (CID 2066688) is N-bis(4-chlorophenoxy)phosphoryl-5-chloro-2-methoxyaniline.
What is the SMILES notation for N-bis(4-chlorophenoxy)phosphoryl-5-chloro-2-methoxyaniline?
The canonical SMILES for N-bis(4-chlorophenoxy)phosphoryl-5-chloro-2-methoxyaniline is COc1ccc(Cl)cc1NP(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1.
What is the InChIKey of N-bis(4-chlorophenoxy)phosphoryl-5-chloro-2-methoxyaniline?
The InChIKey is QGFZSXZXOKVRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl3NO4P/c1-25-19-11-6-15(22)12-18(19)23-28(24,26-16-7-2-13(20)3-8-16)27-17-9-4-14(21)5-10-17/h2-12H,1H3,(H,23,24).
What are the key properties of N-bis(4-chlorophenoxy)phosphoryl-5-chloro-2-methoxyaniline?
N-bis(4-chlorophenoxy)phosphoryl-5-chloro-2-methoxyaniline has a molecular weight of 458.67 g/mol, XLogP of 7.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(4-chlorophenoxy)phosphoryl-5-chloro-2-methoxyaniline is sourced from PubChem (CID 2066688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).