3-ethyl-4-formylbenzamide

C10H11NO2 — CID 123649446

IUPAC3-ethyl-4-formylbenzamide
SMILESCCc1cc(C(N)=O)ccc1C=O
InChIInChI=1S/C10H11NO2/c1-2-7-5-8(10(11)13)3-4-9(7)6-12/h3-6H,2H2,1H3,(H2,11,13)
InChIKeyFUKHXOHHXASICN-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.16
Rot. Bonds3

About 3-ethyl-4-formylbenzamide

3-ethyl-4-formylbenzamide (PubChem CID 123649446) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 3-ethyl-4-formylbenzamide.

Molecular Properties

Compound Name3-ethyl-4-formylbenzamide
PubChem CID123649446
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name3-ethyl-4-formylbenzamide
SMILESCCc1cc(C(N)=O)ccc1C=O
InChIInChI=1S/C10H11NO2/c1-2-7-5-8(10(11)13)3-4-9(7)6-12/h3-6H,2H2,1H3,(H2,11,13)
InChIKeyFUKHXOHHXASICN-UHFFFAOYSA-N
XLogP1.16
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.16
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

4-formyl-3-nitrosobenzamide
CID 122605736
3-amino-4-ethylbenzamide
CID 19977641
2-ethyl-4-methylbenzaldehyde
CID 58929233
2,3-diethylquinoxaline-6-carboxamide
CID 53015593
3-formyl-4-methoxybenzamide
CID 23141386
3-ethyl-4-nitrobenzamide
CID 67525718
methyl 3-(bromomethyl)-4-formylbenzoate
CID 88552817
2-decylbenzene-1,4-dicarboxamide
CID 141297186
4-propanoylphthalaldehyde
CID 118847024
3-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 174701128
3,4-bis(fluoromethyl)benzamide
CID 90892252
methyl 4-ethyl-3-formylbenzoate
CID 91332052

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-formylbenzamide?
The IUPAC name of 3-ethyl-4-formylbenzamide (CID 123649446) is 3-ethyl-4-formylbenzamide.
What is the SMILES notation for 3-ethyl-4-formylbenzamide?
The canonical SMILES for 3-ethyl-4-formylbenzamide is CCc1cc(C(N)=O)ccc1C=O.
What is the InChIKey of 3-ethyl-4-formylbenzamide?
The InChIKey is FUKHXOHHXASICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-2-7-5-8(10(11)13)3-4-9(7)6-12/h3-6H,2H2,1H3,(H2,11,13).
What are the key properties of 3-ethyl-4-formylbenzamide?
3-ethyl-4-formylbenzamide has a molecular weight of 177.20 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-formylbenzamide is sourced from PubChem (CID 123649446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).