N,N-diethyl-3,5-difluoro-2-formylbenzamide

C12H13F2NO2 — CID 82544316

IUPACN,N-diethyl-3,5-difluoro-2-formylbenzamide
SMILESCCN(CC)C(=O)c1cc(F)cc(F)c1C=O
InChIInChI=1S/C12H13F2NO2/c1-3-15(4-2)12(17)9-5-8(13)6-11(14)10(9)7-16/h5-7H,3-4H2,1-2H3
InChIKeyVEZGUASULLYXBX-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.26
Rot. Bonds4

About N,N-diethyl-3,5-difluoro-2-formylbenzamide

N,N-diethyl-3,5-difluoro-2-formylbenzamide (PubChem CID 82544316) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is N,N-diethyl-3,5-difluoro-2-formylbenzamide.

Molecular Properties

Compound NameN,N-diethyl-3,5-difluoro-2-formylbenzamide
PubChem CID82544316
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC NameN,N-diethyl-3,5-difluoro-2-formylbenzamide
SMILESCCN(CC)C(=O)c1cc(F)cc(F)c1C=O
InChIInChI=1S/C12H13F2NO2/c1-3-15(4-2)12(17)9-5-8(13)6-11(14)10(9)7-16/h5-7H,3-4H2,1-2H3
InChIKeyVEZGUASULLYXBX-UHFFFAOYSA-N
XLogP2.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-N,N-diethyl-2-formylbenzamide
CID 82544303
N-(3-aminopropyl)-N-ethyl-2,4,6-trifluorobenzamide
CID 65101704
5-bromo-N,N-diethyl-2-fluoro-4-methylbenzamide
CID 146171179
N-ethyl-2,4-difluoro-N-(2-hydroxyethyl)benzamide
CID 60653825
N,N,4-triethyl-2-fluorobenzamide
CID 69055558
N-(2-bromoethyl)-N-ethyl-2,4-difluorobenzamide
CID 80661130
N-(3-amino-2-methylpropyl)-N-ethyl-2,4-difluorobenzamide
CID 54987846
3-[ethyl(propyl)carbamoyl]-5-fluoro-2-methylbenzenesulfonyl chloride
CID 65371849
N,N-diethyl-6,8-difluoroquinoline-3-carboxamide
CID 110490005
3-amino-N-ethyl-2,5-difluoro-N-(2-hydroxyethyl)benzamide
CID 107120608
4,5-dichloro-1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-dicarboxamide
CID 23857395
N-ethyl-5-fluoro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 60706405

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3,5-difluoro-2-formylbenzamide?
The IUPAC name of N,N-diethyl-3,5-difluoro-2-formylbenzamide (CID 82544316) is N,N-diethyl-3,5-difluoro-2-formylbenzamide.
What is the SMILES notation for N,N-diethyl-3,5-difluoro-2-formylbenzamide?
The canonical SMILES for N,N-diethyl-3,5-difluoro-2-formylbenzamide is CCN(CC)C(=O)c1cc(F)cc(F)c1C=O.
What is the InChIKey of N,N-diethyl-3,5-difluoro-2-formylbenzamide?
The InChIKey is VEZGUASULLYXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c1-3-15(4-2)12(17)9-5-8(13)6-11(14)10(9)7-16/h5-7H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-3,5-difluoro-2-formylbenzamide?
N,N-diethyl-3,5-difluoro-2-formylbenzamide has a molecular weight of 241.24 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,5-difluoro-2-formylbenzamide is sourced from PubChem (CID 82544316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).