N-ethyl-3-(2,3,4,5,6-pentafluoroanilino)propanamide

C11H11F5N2O — CID 115564289

IUPACN-ethyl-3-(2,3,4,5,6-pentafluoroanilino)propanamide
SMILESCCNC(=O)CCNc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H11F5N2O/c1-2-17-5(19)3-4-18-11-9(15)7(13)6(12)8(14)10(11)16/h18H,2-4H2,1H3,(H,17,19)
InChIKeyCDFUNAOQIICPMI-UHFFFAOYSA-N
MW282.21 g/mol
LogP2.32
Rot. Bonds5

About N-ethyl-3-(2,3,4,5,6-pentafluoroanilino)propanamide

N-ethyl-3-(2,3,4,5,6-pentafluoroanilino)propanamide (PubChem CID 115564289) has the molecular formula C11H11F5N2O and a molecular weight of 282.21 g/mol. Its IUPAC name is N-ethyl-3-(2,3,4,5,6-pentafluoroanilino)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(2,3,4,5,6-pentafluoroanilino)propanamide
PubChem CID115564289
Molecular FormulaC11H11F5N2O
Molecular Weight282.21 g/mol
Exact Mass282.08
IUPAC NameN-ethyl-3-(2,3,4,5,6-pentafluoroanilino)propanamide
SMILESCCNC(=O)CCNc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H11F5N2O/c1-2-17-5(19)3-4-18-11-9(15)7(13)6(12)8(14)10(11)16/h18H,2-4H2,1H3,(H,17,19)
InChIKeyCDFUNAOQIICPMI-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-(4-fluoroanilino)propanamide
CID 62324389
3-(3,5-dichloro-4-fluoroanilino)-N-ethylpropanamide
CID 107574011
3-(2,3-difluoro-6-nitroanilino)-N-ethylpropanamide
CID 113410718
3-(4-bromo-2,6-dimethylanilino)-N-ethylpropanamide
CID 62324200
3-(3-chloro-5-fluoroanilino)-N-ethylpropanamide
CID 107365336
N-ethyl-3-(2-methylsulfanylanilino)propanamide
CID 107644721
3-(tert-butylamino)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 115564477
N-ethyl-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanamide
CID 103993424
N-ethyl-3-[(2-hydroxy-2-methylpropyl)amino]propanamide
CID 65106246
N,N'-diethylnonanediamide
CID 89048639
N-ethyl-3-[2-methyl-5-(trifluoromethyl)anilino]propanamide
CID 66479559
3-[2-[2-[2-[[3-(ethylamino)-3-oxopropyl]amino]ethylamino]ethylamino]ethylamino]-N-methylpropanamide
CID 143379058

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2,3,4,5,6-pentafluoroanilino)propanamide?
The IUPAC name of N-ethyl-3-(2,3,4,5,6-pentafluoroanilino)propanamide (CID 115564289) is N-ethyl-3-(2,3,4,5,6-pentafluoroanilino)propanamide.
What is the SMILES notation for N-ethyl-3-(2,3,4,5,6-pentafluoroanilino)propanamide?
The canonical SMILES for N-ethyl-3-(2,3,4,5,6-pentafluoroanilino)propanamide is CCNC(=O)CCNc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-ethyl-3-(2,3,4,5,6-pentafluoroanilino)propanamide?
The InChIKey is CDFUNAOQIICPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F5N2O/c1-2-17-5(19)3-4-18-11-9(15)7(13)6(12)8(14)10(11)16/h18H,2-4H2,1H3,(H,17,19).
What are the key properties of N-ethyl-3-(2,3,4,5,6-pentafluoroanilino)propanamide?
N-ethyl-3-(2,3,4,5,6-pentafluoroanilino)propanamide has a molecular weight of 282.21 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2,3,4,5,6-pentafluoroanilino)propanamide is sourced from PubChem (CID 115564289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).