N-ethyl-3,4-difluoro-N-prop-2-enylbenzamide

C12H13F2NO — CID 84559876

IUPACN-ethyl-3,4-difluoro-N-prop-2-enylbenzamide
SMILESC=CCN(CC)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H13F2NO/c1-3-7-15(4-2)12(16)9-5-6-10(13)11(14)8-9/h3,5-6,8H,1,4,7H2,2H3
InChIKeyGOIMGSLASVZPOV-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.61
Rot. Bonds4

About N-ethyl-3,4-difluoro-N-prop-2-enylbenzamide

N-ethyl-3,4-difluoro-N-prop-2-enylbenzamide (PubChem CID 84559876) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is N-ethyl-3,4-difluoro-N-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-ethyl-3,4-difluoro-N-prop-2-enylbenzamide
PubChem CID84559876
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC NameN-ethyl-3,4-difluoro-N-prop-2-enylbenzamide
SMILESC=CCN(CC)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H13F2NO/c1-3-7-15(4-2)12(16)9-5-6-10(13)11(14)8-9/h3,5-6,8H,1,4,7H2,2H3
InChIKeyGOIMGSLASVZPOV-UHFFFAOYSA-N
XLogP2.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 113363668
N-ethyl-4-methoxy-N-prop-2-enylbenzamide
CID 84558976
N-ethyl-2-oxo-N-prop-2-enyl-1H-pyridine-4-carboxamide
CID 103764844
N-ethyl-2-fluoro-N-prop-2-enyl-5-(trifluoromethyl)benzamide
CID 80711534
ethyl 2-[(3-fluoro-4-methylbenzoyl)-prop-2-enylamino]acetate
CID 78978449
N-ethyl-N-prop-2-enyl-3H-benzimidazole-5-carboxamide
CID 78984706
ethyl 2-[(4-fluoro-3-methoxybenzoyl)-prop-2-enylamino]acetate
CID 81013907
N-ethyl-3-nitro-N-prop-2-enylbenzamide
CID 84558938
N-ethyl-3-methoxy-4-nitro-N-prop-2-enylbenzamide
CID 84558856
N-[(3-aminophenyl)methyl]-N-ethyl-3,4-difluorobenzamide
CID 43458956
4-(chloromethyl)-N,N-diethyl-3-fluorobenzamide
CID 155140398
N,N-diethyl-3-fluoro-4-propan-2-ylbenzamide
CID 167035620

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4-difluoro-N-prop-2-enylbenzamide?
The IUPAC name of N-ethyl-3,4-difluoro-N-prop-2-enylbenzamide (CID 84559876) is N-ethyl-3,4-difluoro-N-prop-2-enylbenzamide.
What is the SMILES notation for N-ethyl-3,4-difluoro-N-prop-2-enylbenzamide?
The canonical SMILES for N-ethyl-3,4-difluoro-N-prop-2-enylbenzamide is C=CCN(CC)C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-ethyl-3,4-difluoro-N-prop-2-enylbenzamide?
The InChIKey is GOIMGSLASVZPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c1-3-7-15(4-2)12(16)9-5-6-10(13)11(14)8-9/h3,5-6,8H,1,4,7H2,2H3.
What are the key properties of N-ethyl-3,4-difluoro-N-prop-2-enylbenzamide?
N-ethyl-3,4-difluoro-N-prop-2-enylbenzamide has a molecular weight of 225.24 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4-difluoro-N-prop-2-enylbenzamide is sourced from PubChem (CID 84559876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).