(N-(2,5-dicyanoanilino)anilino)phosphonic acid

C14H11N4O3P — CID 175007841

IUPAC(N-(2,5-dicyanoanilino)anilino)phosphonic acid
SMILESN#Cc1ccc(C#N)c(NN(c2ccccc2)P(=O)(O)O)c1
InChIInChI=1S/C14H11N4O3P/c15-9-11-6-7-12(10-16)14(8-11)17-18(22(19,20)21)13-4-2-1-3-5-13/h1-8,17H,(H2,19,20,21)
InChIKeyLYLJEYNMYCCCBG-UHFFFAOYSA-N
MW314.24 g/mol
LogP2.36
Rot. Bonds4

About (N-(2,5-dicyanoanilino)anilino)phosphonic acid

(N-(2,5-dicyanoanilino)anilino)phosphonic acid (PubChem CID 175007841) has the molecular formula C14H11N4O3P and a molecular weight of 314.24 g/mol. Its IUPAC name is (N-(2,5-dicyanoanilino)anilino)phosphonic acid.

Molecular Properties

Compound Name(N-(2,5-dicyanoanilino)anilino)phosphonic acid
PubChem CID175007841
Molecular FormulaC14H11N4O3P
Molecular Weight314.24 g/mol
Exact Mass314.06
IUPAC Name(N-(2,5-dicyanoanilino)anilino)phosphonic acid
SMILESN#Cc1ccc(C#N)c(NN(c2ccccc2)P(=O)(O)O)c1
InChIInChI=1S/C14H11N4O3P/c15-9-11-6-7-12(10-16)14(8-11)17-18(22(19,20)21)13-4-2-1-3-5-13/h1-8,17H,(H2,19,20,21)
InChIKeyLYLJEYNMYCCCBG-UHFFFAOYSA-N
XLogP2.36
TPSA120.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(N-(2,4-dicyanoanilino)anilino)phosphonic acid
CID 175006362
N-(2,5-dicyanophenyl)-2,2,2-trifluoroacetamide
CID 142005555
2-hydrazinylbenzene-1,4-dicarbonitrile;sulfuric acid
CID 138619821
4-cyano-N,N'-diphenylbenzohydrazide
CID 11301448
3-(2-cyanophenyl)-1,1-diphenylurea
CID 3830875
N'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide
CID 108501554
4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109050250
methyl (2Z)-2-cyano-2-[(2,5-dicyanophenyl)hydrazinylidene]acetate
CID 101123312
2-(N-anilinoanilino)benzene-1,3,5-tricarbonitrile
CID 66638685
4-cyano-2-(methylamino)benzoic acid
CID 130869011
3-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475839
3-[2-(N-methylanilino)ethylamino]-4-nitrobenzonitrile
CID 133478637

Frequently Asked Questions

What is the IUPAC name of (N-(2,5-dicyanoanilino)anilino)phosphonic acid?
The IUPAC name of (N-(2,5-dicyanoanilino)anilino)phosphonic acid (CID 175007841) is (N-(2,5-dicyanoanilino)anilino)phosphonic acid.
What is the SMILES notation for (N-(2,5-dicyanoanilino)anilino)phosphonic acid?
The canonical SMILES for (N-(2,5-dicyanoanilino)anilino)phosphonic acid is N#Cc1ccc(C#N)c(NN(c2ccccc2)P(=O)(O)O)c1.
What is the InChIKey of (N-(2,5-dicyanoanilino)anilino)phosphonic acid?
The InChIKey is LYLJEYNMYCCCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N4O3P/c15-9-11-6-7-12(10-16)14(8-11)17-18(22(19,20)21)13-4-2-1-3-5-13/h1-8,17H,(H2,19,20,21).
What are the key properties of (N-(2,5-dicyanoanilino)anilino)phosphonic acid?
(N-(2,5-dicyanoanilino)anilino)phosphonic acid has a molecular weight of 314.24 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (N-(2,5-dicyanoanilino)anilino)phosphonic acid is sourced from PubChem (CID 175007841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).