3-fluoro-4-formyl-N-methylbenzamide

C9H8FNO2 — CID 131572088

IUPAC3-fluoro-4-formyl-N-methylbenzamide
SMILESCNC(=O)c1ccc(C=O)c(F)c1
InChIInChI=1S/C9H8FNO2/c1-11-9(13)6-2-3-7(5-12)8(10)4-6/h2-5H,1H3,(H,11,13)
InChIKeyAWHRFGCKRXSASJ-UHFFFAOYSA-N
MW181.17 g/mol
LogP1.00
Rot. Bonds2

About 3-fluoro-4-formyl-N-methylbenzamide

3-fluoro-4-formyl-N-methylbenzamide (PubChem CID 131572088) has the molecular formula C9H8FNO2 and a molecular weight of 181.17 g/mol. Its IUPAC name is 3-fluoro-4-formyl-N-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-4-formyl-N-methylbenzamide
PubChem CID131572088
Molecular FormulaC9H8FNO2
Molecular Weight181.17 g/mol
Exact Mass181.05
IUPAC Name3-fluoro-4-formyl-N-methylbenzamide
SMILESCNC(=O)c1ccc(C=O)c(F)c1
InChIInChI=1S/C9H8FNO2/c1-11-9(13)6-2-3-7(5-12)8(10)4-6/h2-5H,1H3,(H,11,13)
InChIKeyAWHRFGCKRXSASJ-UHFFFAOYSA-N
XLogP1.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-fluoro-4-(methylcarbamoyl)phenyl]prop-2-enoic acid
CID 76913953
2-fluoro-4-prop-1-en-2-ylbenzaldehyde
CID 88914678
CID 167532226
CID 167532226
3-fluoro-N-methyl-4-methylsulfanylbenzamide
CID 149067923
4-(2-chloropropanoyl)-2-fluorobenzaldehyde
CID 130955426
methane;3,4,5-trifluoro-N-methylbenzamide
CID 162072247
[2-fluoro-4-(methylcarbamoyl)phenyl] acetate
CID 165120813
4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorobenzaldehyde
CID 87553068
4-(cyclobutylamino)-3-fluoro-N-methylbenzamide
CID 174641609
4-(difluoromethoxy)-3-fluoro-N-methylbenzamide
CID 126769270
4-(2-bromoacetyl)-3-fluoro-N-methylbenzamide
CID 164571859
2-[2-fluoro-4-(methylcarbamoyl)anilino]acetic acid
CID 86683687

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-formyl-N-methylbenzamide?
The IUPAC name of 3-fluoro-4-formyl-N-methylbenzamide (CID 131572088) is 3-fluoro-4-formyl-N-methylbenzamide.
What is the SMILES notation for 3-fluoro-4-formyl-N-methylbenzamide?
The canonical SMILES for 3-fluoro-4-formyl-N-methylbenzamide is CNC(=O)c1ccc(C=O)c(F)c1.
What is the InChIKey of 3-fluoro-4-formyl-N-methylbenzamide?
The InChIKey is AWHRFGCKRXSASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO2/c1-11-9(13)6-2-3-7(5-12)8(10)4-6/h2-5H,1H3,(H,11,13).
What are the key properties of 3-fluoro-4-formyl-N-methylbenzamide?
3-fluoro-4-formyl-N-methylbenzamide has a molecular weight of 181.17 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-formyl-N-methylbenzamide is sourced from PubChem (CID 131572088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).