N-(3,5-diformamidophenyl)formamide

C9H9N3O3 — CID 87263269

IUPACN-(3,5-diformamidophenyl)formamide
SMILESO=CNc1cc(NC=O)cc(NC=O)c1
InChIInChI=1S/C9H9N3O3/c13-4-10-7-1-8(11-5-14)3-9(2-7)12-6-15/h1-6H,(H,10,13)(H,11,14)(H,12,15)
InChIKeyKMQIMDNQSNRDBJ-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.39
Rot. Bonds6

About N-(3,5-diformamidophenyl)formamide

N-(3,5-diformamidophenyl)formamide (PubChem CID 87263269) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is N-(3,5-diformamidophenyl)formamide.

Molecular Properties

Compound NameN-(3,5-diformamidophenyl)formamide
PubChem CID87263269
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC NameN-(3,5-diformamidophenyl)formamide
SMILESO=CNc1cc(NC=O)cc(NC=O)c1
InChIInChI=1S/C9H9N3O3/c13-4-10-7-1-8(11-5-14)3-9(2-7)12-6-15/h1-6H,(H,10,13)(H,11,14)(H,12,15)
InChIKeyKMQIMDNQSNRDBJ-UHFFFAOYSA-N
XLogP0.39
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-diformamidophenyl)formamide?
The IUPAC name of N-(3,5-diformamidophenyl)formamide (CID 87263269) is N-(3,5-diformamidophenyl)formamide.
What is the SMILES notation for N-(3,5-diformamidophenyl)formamide?
The canonical SMILES for N-(3,5-diformamidophenyl)formamide is O=CNc1cc(NC=O)cc(NC=O)c1.
What is the InChIKey of N-(3,5-diformamidophenyl)formamide?
The InChIKey is KMQIMDNQSNRDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c13-4-10-7-1-8(11-5-14)3-9(2-7)12-6-15/h1-6H,(H,10,13)(H,11,14)(H,12,15).
What are the key properties of N-(3,5-diformamidophenyl)formamide?
N-(3,5-diformamidophenyl)formamide has a molecular weight of 207.19 g/mol, XLogP of 0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-diformamidophenyl)formamide is sourced from PubChem (CID 87263269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).