[(2,3-dichloroanilino)-phosphonomethyl]phosphonic acid

C7H9Cl2NO6P2 — CID 24866779

IUPAC[(2,3-dichloroanilino)-phosphonomethyl]phosphonic acid
SMILESO=P(O)(O)C(Nc1cccc(Cl)c1Cl)P(=O)(O)O
InChIInChI=1S/C7H9Cl2NO6P2/c8-4-2-1-3-5(6(4)9)10-7(17(11,12)13)18(14,15)16/h1-3,7,10H,(H2,11,12,13)(H2,14,15,16)
InChIKeyMHZIAHXWTPYINE-UHFFFAOYSA-N
MW336.00 g/mol
LogP2.04
Rot. Bonds4

About [(2,3-dichloroanilino)-phosphonomethyl]phosphonic acid

[(2,3-dichloroanilino)-phosphonomethyl]phosphonic acid (PubChem CID 24866779) has the molecular formula C7H9Cl2NO6P2 and a molecular weight of 336.00 g/mol. Its IUPAC name is [(2,3-dichloroanilino)-phosphonomethyl]phosphonic acid.

Molecular Properties

Compound Name[(2,3-dichloroanilino)-phosphonomethyl]phosphonic acid
PubChem CID24866779
Molecular FormulaC7H9Cl2NO6P2
Molecular Weight336.00 g/mol
Exact Mass334.93
IUPAC Name[(2,3-dichloroanilino)-phosphonomethyl]phosphonic acid
SMILESO=P(O)(O)C(Nc1cccc(Cl)c1Cl)P(=O)(O)O
InChIInChI=1S/C7H9Cl2NO6P2/c8-4-2-1-3-5(6(4)9)10-7(17(11,12)13)18(14,15)16/h1-3,7,10H,(H2,11,12,13)(H2,14,15,16)
InChIKeyMHZIAHXWTPYINE-UHFFFAOYSA-N
XLogP2.04
TPSA127.09 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.00
LogP ≤ 52.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dichlorophenyl)hydroxylamine
CID 18942828
3-(2,3-dichloroanilino)butanamide
CID 82086378
3,4-dichloro-N-[2,2,2-trichloro-1-(2,3-dichloroanilino)ethyl]benzamide
CID 134122688
ethyl 2-(2,3-dichloroanilino)butanoate
CID 64667551
2,3-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 43439175
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
N-[1-(5-bromothiophen-2-yl)ethyl]-2,3-dichloroaniline
CID 63422025
2,3-dichloro-N-[1-(4-methylsulfanylphenyl)ethyl]aniline
CID 43096870
N-(2,3-dichlorophenyl)-2-iodobenzamide
CID 1043515
2,3-dichloro-N-(2,6-dichlorophenyl)aniline
CID 101290103
4-cyano-N-(2,3-dichlorophenyl)benzamide
CID 23761721
2,3-dichloro-N-diphenoxyphosphorylaniline
CID 2285507

Frequently Asked Questions

What is the IUPAC name of [(2,3-dichloroanilino)-phosphonomethyl]phosphonic acid?
The IUPAC name of [(2,3-dichloroanilino)-phosphonomethyl]phosphonic acid (CID 24866779) is [(2,3-dichloroanilino)-phosphonomethyl]phosphonic acid.
What is the SMILES notation for [(2,3-dichloroanilino)-phosphonomethyl]phosphonic acid?
The canonical SMILES for [(2,3-dichloroanilino)-phosphonomethyl]phosphonic acid is O=P(O)(O)C(Nc1cccc(Cl)c1Cl)P(=O)(O)O.
What is the InChIKey of [(2,3-dichloroanilino)-phosphonomethyl]phosphonic acid?
The InChIKey is MHZIAHXWTPYINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2NO6P2/c8-4-2-1-3-5(6(4)9)10-7(17(11,12)13)18(14,15)16/h1-3,7,10H,(H2,11,12,13)(H2,14,15,16).
What are the key properties of [(2,3-dichloroanilino)-phosphonomethyl]phosphonic acid?
[(2,3-dichloroanilino)-phosphonomethyl]phosphonic acid has a molecular weight of 336.00 g/mol, XLogP of 2.04, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,3-dichloroanilino)-phosphonomethyl]phosphonic acid is sourced from PubChem (CID 24866779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).