4-cyano-5-fluoro-2-formylbenzamide

C9H5FN2O2 — CID 171015999

IUPAC4-cyano-5-fluoro-2-formylbenzamide
SMILESN#Cc1cc(C=O)c(C(N)=O)cc1F
InChIInChI=1S/C9H5FN2O2/c10-8-2-7(9(12)14)6(4-13)1-5(8)3-11/h1-2,4H,(H2,12,14)
InChIKeySJRVLFBJGNYVTE-UHFFFAOYSA-N
MW192.15 g/mol
LogP0.61
Rot. Bonds2

About 4-cyano-5-fluoro-2-formylbenzamide

4-cyano-5-fluoro-2-formylbenzamide (PubChem CID 171015999) has the molecular formula C9H5FN2O2 and a molecular weight of 192.15 g/mol. Its IUPAC name is 4-cyano-5-fluoro-2-formylbenzamide.

Molecular Properties

Compound Name4-cyano-5-fluoro-2-formylbenzamide
PubChem CID171015999
Molecular FormulaC9H5FN2O2
Molecular Weight192.15 g/mol
Exact Mass192.03
IUPAC Name4-cyano-5-fluoro-2-formylbenzamide
SMILESN#Cc1cc(C=O)c(C(N)=O)cc1F
InChIInChI=1S/C9H5FN2O2/c10-8-2-7(9(12)14)6(4-13)1-5(8)3-11/h1-2,4H,(H2,12,14)
InChIKeySJRVLFBJGNYVTE-UHFFFAOYSA-N
XLogP0.61
TPSA83.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.15
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-cyano-2-formyl-4-iodobenzamide
CID 171013624
2-fluoro-4-formyl-5-hydroxybenzonitrile
CID 130063154
2-cyano-5-formyl-4-methoxybenzamide
CID 171012907
3-cyano-4-fluorobenzamide
CID 68505906
5-cyano-2,3-difluorobenzamide
CID 131008452
5-fluoro-3-formyl-2-hydroxybenzonitrile
CID 130063153
2,4-difluoro-5-formyl-3-methylbenzonitrile
CID 139533736
4-fluoro-5-formyl-2-methylbenzonitrile
CID 59370534
4-(4-cyano-2,5-difluorophenyl)but-3-enamide
CID 170798299
2-cyano-3-formyl-5-(trifluoromethyl)benzamide
CID 171011794
4-cyano-2-formyl-5-iodobenzoyl chloride
CID 171013159
4-cyano-5-fluoro-2-methylbenzoic acid
CID 130980145

Frequently Asked Questions

What is the IUPAC name of 4-cyano-5-fluoro-2-formylbenzamide?
The IUPAC name of 4-cyano-5-fluoro-2-formylbenzamide (CID 171015999) is 4-cyano-5-fluoro-2-formylbenzamide.
What is the SMILES notation for 4-cyano-5-fluoro-2-formylbenzamide?
The canonical SMILES for 4-cyano-5-fluoro-2-formylbenzamide is N#Cc1cc(C=O)c(C(N)=O)cc1F.
What is the InChIKey of 4-cyano-5-fluoro-2-formylbenzamide?
The InChIKey is SJRVLFBJGNYVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN2O2/c10-8-2-7(9(12)14)6(4-13)1-5(8)3-11/h1-2,4H,(H2,12,14).
What are the key properties of 4-cyano-5-fluoro-2-formylbenzamide?
4-cyano-5-fluoro-2-formylbenzamide has a molecular weight of 192.15 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-5-fluoro-2-formylbenzamide is sourced from PubChem (CID 171015999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).