N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzamide

C13H15F4NO2 — CID 115771373

IUPACN-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzamide
SMILESCCN(CCCO)C(=O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H15F4NO2/c1-2-18(6-3-7-19)12(20)10-8-9(13(15,16)17)4-5-11(10)14/h4-5,8,19H,2-3,6-7H2,1H3
InChIKeyKUKXSMAKFHPVKU-UHFFFAOYSA-N
MW293.26 g/mol
LogP2.69
Rot. Bonds5

About N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzamide

N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzamide (PubChem CID 115771373) has the molecular formula C13H15F4NO2 and a molecular weight of 293.26 g/mol. Its IUPAC name is N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzamide
PubChem CID115771373
Molecular FormulaC13H15F4NO2
Molecular Weight293.26 g/mol
Exact Mass293.10
IUPAC NameN-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzamide
SMILESCCN(CCCO)C(=O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H15F4NO2/c1-2-18(6-3-7-19)12(20)10-8-9(13(15,16)17)4-5-11(10)14/h4-5,8,19H,2-3,6-7H2,1H3
InChIKeyKUKXSMAKFHPVKU-UHFFFAOYSA-N
XLogP2.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-fluoro-N-prop-2-enyl-5-(trifluoromethyl)benzamide
CID 80711534
2-fluoro-N-propyl-N-prop-2-ynyl-5-(trifluoromethyl)benzamide
CID 80719183
N-ethyl-5-fluoro-N-(3-hydroxypropyl)-2-methylbenzamide
CID 113339465
2-amino-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide
CID 113468555
3-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide
CID 113339415
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 107490909
N,N-diethyl-2-methoxy-5-(trifluoromethyl)benzamide
CID 164894117
N-[3-(diethylamino)propyl]-N-ethyl-2-fluoro-5-sulfanylbenzamide
CID 107036899
4-bromo-N-ethyl-3-fluoro-N-(3-hydroxypropyl)benzamide
CID 115772086
N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)benzamide
CID 54880306
2-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-5-(trifluoromethyl)benzamide
CID 82942832
2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115771499

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzamide (CID 115771373) is N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzamide is CCN(CCCO)C(=O)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzamide?
The InChIKey is KUKXSMAKFHPVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO2/c1-2-18(6-3-7-19)12(20)10-8-9(13(15,16)17)4-5-11(10)14/h4-5,8,19H,2-3,6-7H2,1H3.
What are the key properties of N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzamide?
N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzamide has a molecular weight of 293.26 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 115771373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).