N-[chloro(trichloromethyl)phosphoryl]-4-methoxyaniline

C8H8Cl4NO2P — CID 3263552

IUPACN-[chloro(trichloromethyl)phosphoryl]-4-methoxyaniline
SMILESCOc1ccc(NP(=O)(Cl)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C8H8Cl4NO2P/c1-15-7-4-2-6(3-5-7)13-16(12,14)8(9,10)11/h2-5H,1H3,(H,13,14)
InChIKeyNXWSVMIZRGTJFS-UHFFFAOYSA-N
MW322.94 g/mol
LogP4.87
Rot. Bonds3

About N-[chloro(trichloromethyl)phosphoryl]-4-methoxyaniline

N-[chloro(trichloromethyl)phosphoryl]-4-methoxyaniline (PubChem CID 3263552) has the molecular formula C8H8Cl4NO2P and a molecular weight of 322.94 g/mol. Its IUPAC name is N-[chloro(trichloromethyl)phosphoryl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[chloro(trichloromethyl)phosphoryl]-4-methoxyaniline
PubChem CID3263552
Molecular FormulaC8H8Cl4NO2P
Molecular Weight322.94 g/mol
Exact Mass320.90
IUPAC NameN-[chloro(trichloromethyl)phosphoryl]-4-methoxyaniline
SMILESCOc1ccc(NP(=O)(Cl)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C8H8Cl4NO2P/c1-15-7-4-2-6(3-5-7)13-16(12,14)8(9,10)11/h2-5H,1H3,(H,13,14)
InChIKeyNXWSVMIZRGTJFS-UHFFFAOYSA-N
XLogP4.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.94
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyanilino) 2,2,2-trifluoroacetate
CID 87301067
N-(4-chloro-4,4-difluorobutyl)-4-methoxyaniline
CID 67832517
2,2-difluoro-3-hydroxy-N-(4-methoxyphenyl)propanamide
CID 139665561
(1R)-1-chloro-2,2,2-trifluoro-1-(4-methoxyanilino)ethanol
CID 124638592
chloro bis(4-methoxyphenyl) phosphate
CID 19821181
N-[[2-(chloromethyl)phenyl]-methylphosphoryl]-4-methoxyaniline
CID 12722696
N-[dimethylamino(trichloromethyl)phosphanyl]-4-methoxyaniline
CID 4567835
1-methoxy-4-[2-(4-methoxyanilino)hydrazinyl]benzene
CID 163682432
N,4-dimethoxyaniline
CID 23340556
N-[methoxy-(4-methoxyphenoxy)phosphoryl]methanamine
CID 23274140
4-methoxy-N-(2,2,2-trifluoroethyl)aniline
CID 28585897
1,3-bis(4-methoxyphenyl)urea
CID 139045428

Frequently Asked Questions

What is the IUPAC name of N-[chloro(trichloromethyl)phosphoryl]-4-methoxyaniline?
The IUPAC name of N-[chloro(trichloromethyl)phosphoryl]-4-methoxyaniline (CID 3263552) is N-[chloro(trichloromethyl)phosphoryl]-4-methoxyaniline.
What is the SMILES notation for N-[chloro(trichloromethyl)phosphoryl]-4-methoxyaniline?
The canonical SMILES for N-[chloro(trichloromethyl)phosphoryl]-4-methoxyaniline is COc1ccc(NP(=O)(Cl)C(Cl)(Cl)Cl)cc1.
What is the InChIKey of N-[chloro(trichloromethyl)phosphoryl]-4-methoxyaniline?
The InChIKey is NXWSVMIZRGTJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl4NO2P/c1-15-7-4-2-6(3-5-7)13-16(12,14)8(9,10)11/h2-5H,1H3,(H,13,14).
What are the key properties of N-[chloro(trichloromethyl)phosphoryl]-4-methoxyaniline?
N-[chloro(trichloromethyl)phosphoryl]-4-methoxyaniline has a molecular weight of 322.94 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro(trichloromethyl)phosphoryl]-4-methoxyaniline is sourced from PubChem (CID 3263552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).