5-[anilino(methyl)phosphoryl]benzene-1,3-dicarboxylic acid

C15H14NO5P — CID 175183741

IUPAC5-[anilino(methyl)phosphoryl]benzene-1,3-dicarboxylic acid
SMILESCP(=O)(Nc1ccccc1)c1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C15H14NO5P/c1-22(21,16-12-5-3-2-4-6-12)13-8-10(14(17)18)7-11(9-13)15(19)20/h2-9H,1H3,(H,16,21)(H,17,18)(H,19,20)
InChIKeyRXVBEYPEKIHVRC-UHFFFAOYSA-N
MW319.25 g/mol
LogP2.73
Rot. Bonds5

About 5-[anilino(methyl)phosphoryl]benzene-1,3-dicarboxylic acid

5-[anilino(methyl)phosphoryl]benzene-1,3-dicarboxylic acid (PubChem CID 175183741) has the molecular formula C15H14NO5P and a molecular weight of 319.25 g/mol. Its IUPAC name is 5-[anilino(methyl)phosphoryl]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-[anilino(methyl)phosphoryl]benzene-1,3-dicarboxylic acid
PubChem CID175183741
Molecular FormulaC15H14NO5P
Molecular Weight319.25 g/mol
Exact Mass319.06
IUPAC Name5-[anilino(methyl)phosphoryl]benzene-1,3-dicarboxylic acid
SMILESCP(=O)(Nc1ccccc1)c1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C15H14NO5P/c1-22(21,16-12-5-3-2-4-6-12)13-8-10(14(17)18)7-11(9-13)15(19)20/h2-9H,1H3,(H,16,21)(H,17,18)(H,19,20)
InChIKeyRXVBEYPEKIHVRC-UHFFFAOYSA-N
XLogP2.73
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzene;benzene-1,3,5-tricarboxylic acid;carbonic acid
CID 174275338
Lithium benzoate, 99%
CID 57451198
5-acetyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 144544324
azane;benzene-1,3,5-tricarboxylic acid
CID 172833509
benzene-1,3,5-tricarboxylic acid;europium
CID 172691407
benzene-1,3,5-tricarboxylic acid;vanadium
CID 166458102
tris(benzene-1,3,5-tricarboxylic acid);trihydrochloride
CID 66646410
benzene-1,3-dicarboxylic acid;formaldehyde
CID 159467147
benzoic acid;ethane;ethene
CID 143334069
6-(phenylcarbamoyl)benzene-1,2,4-tricarboxylic acid
CID 54546942
5-(2,2-dimethylpropanoylamino)benzene-1,3-dicarboxylic acid
CID 749542
5-N-tert-butyl-3-N-phenylpyridine-3,5-dicarboxamide
CID 109106910

Frequently Asked Questions

What is the IUPAC name of 5-[anilino(methyl)phosphoryl]benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-[anilino(methyl)phosphoryl]benzene-1,3-dicarboxylic acid (CID 175183741) is 5-[anilino(methyl)phosphoryl]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-[anilino(methyl)phosphoryl]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-[anilino(methyl)phosphoryl]benzene-1,3-dicarboxylic acid is CP(=O)(Nc1ccccc1)c1cc(C(=O)O)cc(C(=O)O)c1.
What is the InChIKey of 5-[anilino(methyl)phosphoryl]benzene-1,3-dicarboxylic acid?
The InChIKey is RXVBEYPEKIHVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14NO5P/c1-22(21,16-12-5-3-2-4-6-12)13-8-10(14(17)18)7-11(9-13)15(19)20/h2-9H,1H3,(H,16,21)(H,17,18)(H,19,20).
What are the key properties of 5-[anilino(methyl)phosphoryl]benzene-1,3-dicarboxylic acid?
5-[anilino(methyl)phosphoryl]benzene-1,3-dicarboxylic acid has a molecular weight of 319.25 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[anilino(methyl)phosphoryl]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 175183741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).