3,5-diformamidobenzoic acid

C9H8N2O4 — CID 88824919

IUPAC3,5-diformamidobenzoic acid
SMILESO=CNc1cc(NC=O)cc(C(=O)O)c1
InChIInChI=1S/C9H8N2O4/c12-4-10-7-1-6(9(14)15)2-8(3-7)11-5-13/h1-5H,(H,10,12)(H,11,13)(H,14,15)
InChIKeyFBXKZJSSGYWYPG-UHFFFAOYSA-N
MW208.17 g/mol
LogP0.52
Rot. Bonds5

About 3,5-diformamidobenzoic acid

3,5-diformamidobenzoic acid (PubChem CID 88824919) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is 3,5-diformamidobenzoic acid.

Molecular Properties

Compound Name3,5-diformamidobenzoic acid
PubChem CID88824919
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Name3,5-diformamidobenzoic acid
SMILESO=CNc1cc(NC=O)cc(C(=O)O)c1
InChIInChI=1S/C9H8N2O4/c12-4-10-7-1-6(9(14)15)2-8(3-7)11-5-13/h1-5H,(H,10,12)(H,11,13)(H,14,15)
InChIKeyFBXKZJSSGYWYPG-UHFFFAOYSA-N
XLogP0.52
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-diformamidophenyl)formamide
CID 87263269
3-(dipropylcarbamoyl)-5-formamidobenzoic acid
CID 87977943
3,5-bis(chloroamino)benzoic acid
CID 150801706
N-[3,5-bis(methylamino)phenyl]formamide
CID 158907123
5-(carboxyamino)benzene-1,3-dicarboxylic acid
CID 18974712
3-formamido-5-(trifluoromethylsulfanyl)benzamide
CID 168652519
4-formamido-3-hydroxybenzoic acid
CID 56997255
benzene-1,3,5-tricarboxylic acid;vanadium
CID 166458102
benzene-1,3,5-tricarboxylic acid;europium
CID 172691407
azane;benzene-1,3,5-tricarboxylic acid
CID 172833509
tris(benzene-1,3,5-tricarboxylic acid);trihydrochloride
CID 66646410
N-[3,5-bis(trifluoromethyl)phenyl]formamide
CID 11322837

Frequently Asked Questions

What is the IUPAC name of 3,5-diformamidobenzoic acid?
The IUPAC name of 3,5-diformamidobenzoic acid (CID 88824919) is 3,5-diformamidobenzoic acid.
What is the SMILES notation for 3,5-diformamidobenzoic acid?
The canonical SMILES for 3,5-diformamidobenzoic acid is O=CNc1cc(NC=O)cc(C(=O)O)c1.
What is the InChIKey of 3,5-diformamidobenzoic acid?
The InChIKey is FBXKZJSSGYWYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4/c12-4-10-7-1-6(9(14)15)2-8(3-7)11-5-13/h1-5H,(H,10,12)(H,11,13)(H,14,15).
What are the key properties of 3,5-diformamidobenzoic acid?
3,5-diformamidobenzoic acid has a molecular weight of 208.17 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diformamidobenzoic acid is sourced from PubChem (CID 88824919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).