2-fluoro-3-formamidobenzamide

C8H7FN2O2 — CID 118901984

IUPAC2-fluoro-3-formamidobenzamide
SMILESNC(=O)c1cccc(NC=O)c1F
InChIInChI=1S/C8H7FN2O2/c9-7-5(8(10)13)2-1-3-6(7)11-4-12/h1-4H,(H2,10,13)(H,11,12)
InChIKeyXWYFUOJVUDYTDL-UHFFFAOYSA-N
MW182.15 g/mol
LogP0.49
Rot. Bonds3

About 2-fluoro-3-formamidobenzamide

2-fluoro-3-formamidobenzamide (PubChem CID 118901984) has the molecular formula C8H7FN2O2 and a molecular weight of 182.15 g/mol. Its IUPAC name is 2-fluoro-3-formamidobenzamide.

Molecular Properties

Compound Name2-fluoro-3-formamidobenzamide
PubChem CID118901984
Molecular FormulaC8H7FN2O2
Molecular Weight182.15 g/mol
Exact Mass182.05
IUPAC Name2-fluoro-3-formamidobenzamide
SMILESNC(=O)c1cccc(NC=O)c1F
InChIInChI=1S/C8H7FN2O2/c9-7-5(8(10)13)2-1-3-6(7)11-4-12/h1-4H,(H2,10,13)(H,11,12)
InChIKeyXWYFUOJVUDYTDL-UHFFFAOYSA-N
XLogP0.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Acetanilide, 3'-acetyl-2,2,2-trifluoro-
CID 673706
3-Aminobenzanilide
CID 84347
2-(Methylamino)benzamide
CID 101222
N-(4-Fluorophenyl)benzamide
CID 242889
2-fluoro-N-(4-fluorophenyl)benzamide
CID 531933
2-Formylaminobenzaldehyde
CID 400
3'-(Trifluoromethyl)benzanilide
CID 280160
3'-Methylbenzanilide
CID 68496
3'-Acetamidoacetophenone
CID 346202
4'-Fluoro-3-nitrobenzanilide
CID 765293
4-(Formamido)acetophenone
CID 4570782
3-benzamido-N-hydroxybenzamide
CID 118796366

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-formamidobenzamide?
The IUPAC name of 2-fluoro-3-formamidobenzamide (CID 118901984) is 2-fluoro-3-formamidobenzamide.
What is the SMILES notation for 2-fluoro-3-formamidobenzamide?
The canonical SMILES for 2-fluoro-3-formamidobenzamide is NC(=O)c1cccc(NC=O)c1F.
What is the InChIKey of 2-fluoro-3-formamidobenzamide?
The InChIKey is XWYFUOJVUDYTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O2/c9-7-5(8(10)13)2-1-3-6(7)11-4-12/h1-4H,(H2,10,13)(H,11,12).
What are the key properties of 2-fluoro-3-formamidobenzamide?
2-fluoro-3-formamidobenzamide has a molecular weight of 182.15 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-formamidobenzamide is sourced from PubChem (CID 118901984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).