2,3,4,5-tetrafluoro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide

C12H11F4NO2 — CID 115775854

IUPAC2,3,4,5-tetrafluoro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
SMILESC=CCN(CCO)C(=O)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C12H11F4NO2/c1-2-3-17(4-5-18)12(19)7-6-8(13)10(15)11(16)9(7)14/h2,6,18H,1,3-5H2
InChIKeyALSUWDGDUJQPFF-UHFFFAOYSA-N
MW277.22 g/mol
LogP1.86
Rot. Bonds5

About 2,3,4,5-tetrafluoro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide

2,3,4,5-tetrafluoro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide (PubChem CID 115775854) has the molecular formula C12H11F4NO2 and a molecular weight of 277.22 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
PubChem CID115775854
Molecular FormulaC12H11F4NO2
Molecular Weight277.22 g/mol
Exact Mass277.07
IUPAC Name2,3,4,5-tetrafluoro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
SMILESC=CCN(CCO)C(=O)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C12H11F4NO2/c1-2-3-17(4-5-18)12(19)7-6-8(13)10(15)11(16)9(7)14/h2,6,18H,1,3-5H2
InChIKeyALSUWDGDUJQPFF-UHFFFAOYSA-N
XLogP1.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.22
LogP ≤ 51.86
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylbenzamide
CID 115776016
3-fluoro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide
CID 115775734
2-fluoro-N-(2-hydroxyethyl)-3-methyl-5-nitro-N-prop-2-enylbenzamide
CID 103297585
2,4-dihydroxy-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 113368377
2-bromo-4-chloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 103860931
N-(3-amino-3-sulfanylidenepropyl)-2,3,4-trifluoro-N-prop-2-enylbenzamide
CID 82103866
2-chloro-N-(2-hydroxyethyl)-N-prop-2-enyl-5-sulfanylbenzamide
CID 107035729
N-(2-hydroxyethyl)-3,5-dimethyl-N-prop-2-enylbenzamide
CID 113340642
5-amino-2,3-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 107185946
2,5-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide
CID 114918916
5-chloro-N-(2-hydroxyethyl)-2-nitro-N-prop-2-enylbenzamide
CID 115776034
5-amino-2-chloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide
CID 114089582

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide?
The IUPAC name of 2,3,4,5-tetrafluoro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide (CID 115775854) is 2,3,4,5-tetrafluoro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide.
What is the SMILES notation for 2,3,4,5-tetrafluoro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide?
The canonical SMILES for 2,3,4,5-tetrafluoro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide is C=CCN(CCO)C(=O)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5-tetrafluoro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide?
The InChIKey is ALSUWDGDUJQPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4NO2/c1-2-3-17(4-5-18)12(19)7-6-8(13)10(15)11(16)9(7)14/h2,6,18H,1,3-5H2.
What are the key properties of 2,3,4,5-tetrafluoro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide?
2,3,4,5-tetrafluoro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide has a molecular weight of 277.22 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide is sourced from PubChem (CID 115775854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).