(N-(2,4-dicyanoanilino)anilino)phosphonic acid

C14H11N4O3P — CID 175006362

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

About (N-(2,4-dicyanoanilino)anilino)phosphonic acid

(N-(2,4-dicyanoanilino)anilino)phosphonic acid (PubChem CID 175006362) has the molecular formula C14H11N4O3P and a molecular weight of 314.24 g/mol. Its IUPAC name is (N-(2,4-dicyanoanilino)anilino)phosphonic acid.

Molecular Properties

Compound Name(N-(2,4-dicyanoanilino)anilino)phosphonic acid
PubChem CID175006362
Molecular FormulaC14H11N4O3P
Molecular Weight314.24 g/mol
Exact Mass314.06
IUPAC Name(N-(2,4-dicyanoanilino)anilino)phosphonic acid
SMILESN#Cc1ccc(NN(c2ccccc2)P(=O)(O)O)c(C#N)c1
InChIInChI=1S/C14H11N4O3P/c15-9-11-6-7-14(12(8-11)10-16)17-18(22(19,20)21)13-4-2-1-3-5-13/h1-8,17H,(H2,19,20,21)
InChIKeyLXSBCZFVNKBBNC-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-(2,5-dicyanoanilino)anilino)phosphonic acid
CID 175007841
2,4-dicyano-1-(diazonioamino)benzene
CID 175416365
2-(N-anilinoanilino)benzene-1,3,5-tricarbonitrile
CID 66638685
4-(2,2-dimethylhydrazinyl)-3-fluorobenzonitrile
CID 83015429
4-cyano-N,N'-diphenylbenzohydrazide
CID 11301448
N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide
CID 81498291
3-(2-cyanophenyl)-1,1-diphenylurea
CID 3830875
N'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide
CID 108501554
2-(2,2-dimethylhydrazinyl)-5-methylbenzonitrile
CID 107927736
3-cyano-N-[3-(N-methylanilino)propyl]benzamide
CID 24708607
N-(4-amino-2-cyanophenyl)-2-phenoxyacetamide
CID 43548948
4-[(2,4-dinitronaphthalen-1-yl)amino]benzene-1,3-dicarbonitrile
CID 20567274

Frequently Asked Questions

What is the IUPAC name of (N-(2,4-dicyanoanilino)anilino)phosphonic acid?
The IUPAC name of (N-(2,4-dicyanoanilino)anilino)phosphonic acid (CID 175006362) is (N-(2,4-dicyanoanilino)anilino)phosphonic acid.
What is the SMILES notation for (N-(2,4-dicyanoanilino)anilino)phosphonic acid?
The canonical SMILES for (N-(2,4-dicyanoanilino)anilino)phosphonic acid is N#Cc1ccc(NN(c2ccccc2)P(=O)(O)O)c(C#N)c1.
What is the InChIKey of (N-(2,4-dicyanoanilino)anilino)phosphonic acid?
The InChIKey is LXSBCZFVNKBBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N4O3P/c15-9-11-6-7-14(12(8-11)10-16)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-(2,4-dicyanoanilino)anilino)phosphonic acid?
(N-(2,4-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-(2,4-dicyanoanilino)anilino)phosphonic acid is sourced from PubChem (CID 175006362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).