4-Fluorobenzamide

C7H6FNO — CID 71572

IUPAC4-fluorobenzamide
SMILESC1=CC(=CC=C1C(=O)N)F
InChIInChI=1S/C7H6FNO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
InChIKeyVNDHYTGVCGVETQ-UHFFFAOYSA-N
MW139.13 g/mol
LogP0.90
Rot. Bonds1

About 4-Fluorobenzamide

4-Fluorobenzamide (PubChem CID 71572) has the molecular formula C7H6FNO and a molecular weight of 139.13 g/mol. Its IUPAC name is 4-fluorobenzamide.

Molecular Properties

Compound Name4-Fluorobenzamide
PubChem CID71572
Molecular FormulaC7H6FNO
Molecular Weight139.13 g/mol
Exact Mass139.04
IUPAC Name4-fluorobenzamide
SMILESC1=CC(=CC=C1C(=O)N)F
InChIInChI=1S/C7H6FNO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
InChIKeyVNDHYTGVCGVETQ-UHFFFAOYSA-N
XLogP0.90
TPSA43.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity130

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.13
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzamide
CID 2331
Benzoylhydrazine
CID 11955
Phthalamide
CID 6956
Benzohydroxamic acid
CID 10313
2,6-Difluorobenzamide
CID 87439
2-Trifluoromethylbenzamide
CID 67759
4-Methylbenzamide
CID 69274
2-Methylbenzamide
CID 10704
Amylase
CID 71475145
2-Fluorobenzamide
CID 67964
Terephthalamide
CID 76381
m-Toluamide
CID 69253

Frequently Asked Questions

What is the IUPAC name of 4-Fluorobenzamide?
The IUPAC name of 4-Fluorobenzamide (CID 71572) is 4-fluorobenzamide.
What is the SMILES notation for 4-Fluorobenzamide?
The canonical SMILES for 4-Fluorobenzamide is C1=CC(=CC=C1C(=O)N)F.
What is the InChIKey of 4-Fluorobenzamide?
The InChIKey is VNDHYTGVCGVETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10).
What are the key properties of 4-Fluorobenzamide?
4-Fluorobenzamide has a molecular weight of 139.13 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Fluorobenzamide is sourced from PubChem (CID 71572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).