N-[(4-fluorophenyl)-formamidomethyl]formamide

C9H9FN2O2 — CID 10219800

IUPACN-[(4-fluorophenyl)-formamidomethyl]formamide
SMILESO=CNC(NC=O)c1ccc(F)cc1
InChIInChI=1S/C9H9FN2O2/c10-8-3-1-7(2-4-8)9(11-5-13)12-6-14/h1-6,9H,(H,11,13)(H,12,14)
InChIKeyCXQIHDGLZRGTTM-UHFFFAOYSA-N
MW196.18 g/mol
LogP0.32
Rot. Bonds5

About N-[(4-fluorophenyl)-formamidomethyl]formamide

N-[(4-fluorophenyl)-formamidomethyl]formamide (PubChem CID 10219800) has the molecular formula C9H9FN2O2 and a molecular weight of 196.18 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-formamidomethyl]formamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-formamidomethyl]formamide
PubChem CID10219800
Molecular FormulaC9H9FN2O2
Molecular Weight196.18 g/mol
Exact Mass196.06
IUPAC NameN-[(4-fluorophenyl)-formamidomethyl]formamide
SMILESO=CNC(NC=O)c1ccc(F)cc1
InChIInChI=1S/C9H9FN2O2/c10-8-3-1-7(2-4-8)9(11-5-13)12-6-14/h1-6,9H,(H,11,13)(H,12,14)
InChIKeyCXQIHDGLZRGTTM-UHFFFAOYSA-N
XLogP0.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-formamidomethyl]formamide?
The IUPAC name of N-[(4-fluorophenyl)-formamidomethyl]formamide (CID 10219800) is N-[(4-fluorophenyl)-formamidomethyl]formamide.
What is the SMILES notation for N-[(4-fluorophenyl)-formamidomethyl]formamide?
The canonical SMILES for N-[(4-fluorophenyl)-formamidomethyl]formamide is O=CNC(NC=O)c1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)-formamidomethyl]formamide?
The InChIKey is CXQIHDGLZRGTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O2/c10-8-3-1-7(2-4-8)9(11-5-13)12-6-14/h1-6,9H,(H,11,13)(H,12,14).
What are the key properties of N-[(4-fluorophenyl)-formamidomethyl]formamide?
N-[(4-fluorophenyl)-formamidomethyl]formamide has a molecular weight of 196.18 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-formamidomethyl]formamide is sourced from PubChem (CID 10219800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).