2,5-dichloro-N-[(2-chloro-5-methylphenoxy)-methylphosphoryl]aniline

C14H13Cl3NO2P — CID 3352310

IUPAC2,5-dichloro-N-[(2-chloro-5-methylphenoxy)-methylphosphoryl]aniline
SMILESCc1ccc(Cl)c(OP(C)(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H13Cl3NO2P/c1-9-3-5-12(17)14(7-9)20-21(2,19)18-13-8-10(15)4-6-11(13)16/h3-8H,1-2H3,(H,18,19)
InChIKeyPRIZEVYZSGJATN-UHFFFAOYSA-N
MW364.60 g/mol
LogP6.27
Rot. Bonds4

About 2,5-dichloro-N-[(2-chloro-5-methylphenoxy)-methylphosphoryl]aniline

2,5-dichloro-N-[(2-chloro-5-methylphenoxy)-methylphosphoryl]aniline (PubChem CID 3352310) has the molecular formula C14H13Cl3NO2P and a molecular weight of 364.60 g/mol. Its IUPAC name is 2,5-dichloro-N-[(2-chloro-5-methylphenoxy)-methylphosphoryl]aniline.

Molecular Properties

Compound Name2,5-dichloro-N-[(2-chloro-5-methylphenoxy)-methylphosphoryl]aniline
PubChem CID3352310
Molecular FormulaC14H13Cl3NO2P
Molecular Weight364.60 g/mol
Exact Mass362.97
IUPAC Name2,5-dichloro-N-[(2-chloro-5-methylphenoxy)-methylphosphoryl]aniline
SMILESCc1ccc(Cl)c(OP(C)(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H13Cl3NO2P/c1-9-3-5-12(17)14(7-9)20-21(2,19)18-13-8-10(15)4-6-11(13)16/h3-8H,1-2H3,(H,18,19)
InChIKeyPRIZEVYZSGJATN-UHFFFAOYSA-N
XLogP6.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.60
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-[(4-ethylphenoxy)-methylphosphoryl]aniline
CID 11860108
5-chloro-N-[(2-methoxyphenoxy)-methylphosphoryl]-2-methylaniline
CID 11860175
N-(2,5-dichlorophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 35987064
2,4-dichloro-1-dimethylphosphoryloxybenzene
CID 20795526
N-[(4-chlorophenoxy)-methylphosphoryl]-4-methylaniline
CID 11860048
N-(2,5-dichlorophenyl)-2-(2,5-dimethylphenoxy)propanamide
CID 4944864
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(2-chloro-5-methylphenoxy)acetate
CID 18279733
3-chloro-N-[(3,5-dimethylphenoxy)-methylphosphoryl]-2-methylaniline
CID 752266
N'-(2,5-dichlorophenyl)-N-(2,4-dimethylphenyl)oxamide
CID 108500949
N-(5-chloro-2-hydroxyphenyl)-1-[(2-chloro-5-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275548
2,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 965623
2-(2,5-dichloroanilino)-5-methylbenzoic acid
CID 63528661

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(2-chloro-5-methylphenoxy)-methylphosphoryl]aniline?
The IUPAC name of 2,5-dichloro-N-[(2-chloro-5-methylphenoxy)-methylphosphoryl]aniline (CID 3352310) is 2,5-dichloro-N-[(2-chloro-5-methylphenoxy)-methylphosphoryl]aniline.
What is the SMILES notation for 2,5-dichloro-N-[(2-chloro-5-methylphenoxy)-methylphosphoryl]aniline?
The canonical SMILES for 2,5-dichloro-N-[(2-chloro-5-methylphenoxy)-methylphosphoryl]aniline is Cc1ccc(Cl)c(OP(C)(=O)Nc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 2,5-dichloro-N-[(2-chloro-5-methylphenoxy)-methylphosphoryl]aniline?
The InChIKey is PRIZEVYZSGJATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl3NO2P/c1-9-3-5-12(17)14(7-9)20-21(2,19)18-13-8-10(15)4-6-11(13)16/h3-8H,1-2H3,(H,18,19).
What are the key properties of 2,5-dichloro-N-[(2-chloro-5-methylphenoxy)-methylphosphoryl]aniline?
2,5-dichloro-N-[(2-chloro-5-methylphenoxy)-methylphosphoryl]aniline has a molecular weight of 364.60 g/mol, XLogP of 6.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(2-chloro-5-methylphenoxy)-methylphosphoryl]aniline is sourced from PubChem (CID 3352310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).