N-ethyl-2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)benzamide

C11H10F5NO2 — CID 60722923

IUPACN-ethyl-2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)benzamide
SMILESCCN(CCO)C(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H10F5NO2/c1-2-17(3-4-18)11(19)5-6(12)8(14)10(16)9(15)7(5)13/h18H,2-4H2,1H3
InChIKeyYKFSVJDFCJQYNV-UHFFFAOYSA-N
MW283.20 g/mol
LogP1.84
Rot. Bonds4

About N-ethyl-2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)benzamide

N-ethyl-2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)benzamide (PubChem CID 60722923) has the molecular formula C11H10F5NO2 and a molecular weight of 283.20 g/mol. Its IUPAC name is N-ethyl-2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)benzamide
PubChem CID60722923
Molecular FormulaC11H10F5NO2
Molecular Weight283.20 g/mol
Exact Mass283.06
IUPAC NameN-ethyl-2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)benzamide
SMILESCCN(CCO)C(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H10F5NO2/c1-2-17(3-4-18)11(19)5-6(12)8(14)10(16)9(15)7(5)13/h18H,2-4H2,1H3
InChIKeyYKFSVJDFCJQYNV-UHFFFAOYSA-N
XLogP1.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 51.84
H-Bond Donors ≤ 51
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

2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 43608029
3-amino-N-ethyl-2,5-difluoro-N-(2-hydroxyethyl)benzamide
CID 107120608
N-ethyl-N-(2-hydroxyethyl)-1,2-oxazole-5-carboxamide
CID 60957663
N-ethyl-N-(2-hydroxyethyl)-2,4,5-trimethylfuran-3-carboxamide
CID 60739984
N-(2-aminoethyl)-N-butyl-2,3,4,5,6-pentafluorobenzamide
CID 63754248
N-ethyl-2,4-difluoro-N-(2-hydroxyethyl)benzamide
CID 60653825
N-ethyl-5-fluoro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 60706405
ethyl(2-hydroxyethyl)carbamic acid
CID 23202017
4-(chloromethyl)-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 60948392
4-bromo-N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 60740683
2,3,4,5,6-pentafluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61040258
2-[ethyl(2-hydroxyethyl)carbamoyl]benzoic acid
CID 60662044

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)benzamide?
The IUPAC name of N-ethyl-2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)benzamide (CID 60722923) is N-ethyl-2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for N-ethyl-2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for N-ethyl-2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)benzamide is CCN(CCO)C(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-ethyl-2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)benzamide?
The InChIKey is YKFSVJDFCJQYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F5NO2/c1-2-17(3-4-18)11(19)5-6(12)8(14)10(16)9(15)7(5)13/h18H,2-4H2,1H3.
What are the key properties of N-ethyl-2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)benzamide?
N-ethyl-2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)benzamide has a molecular weight of 283.20 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 60722923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).