N-[1-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)benzamide

C14H16F3NO2 — CID 2971075

IUPACN-[1-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)benzamide
SMILESCC(NC(=O)c1cccc(C(F)(F)F)c1)C1CCCO1
InChIInChI=1S/C14H16F3NO2/c1-9(12-6-3-7-20-12)18-13(19)10-4-2-5-11(8-10)14(15,16)17/h2,4-5,8-9,12H,3,6-7H2,1H3,(H,18,19)
InChIKeyKSQBRBVUPPGKFJ-UHFFFAOYSA-N
MW287.28 g/mol
LogP3.00
Rot. Bonds3

About N-[1-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)benzamide

N-[1-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 2971075) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)benzamide
PubChem CID2971075
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC NameN-[1-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)benzamide
SMILESCC(NC(=O)c1cccc(C(F)(F)F)c1)C1CCCO1
InChIInChI=1S/C14H16F3NO2/c1-9(12-6-3-7-20-12)18-13(19)10-4-2-5-11(8-10)14(15,16)17/h2,4-5,8-9,12H,3,6-7H2,1H3,(H,18,19)
InChIKeyKSQBRBVUPPGKFJ-UHFFFAOYSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzamide, N-tetrahydrofurfuryl-3-fluoro-
CID 532005
Benzamide, N-tetrahydrofurfuryl-3-methyl-
CID 531960
4-fluoro-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide
CID 4883577
N,N'-Bis-(tetrahydro-furan-2-ylmethyl)-terephthalamide
CID 551361
N-cyclopropyl-3-fluoro-4-methyl-5-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 44480181
4-ethyl-N-{3-methyl-1-oxo-1-[(tetrahydrofuran-2-ylmethyl)amino]butan-2-yl}benzamide
CID 2975014
4-fluoro-N-(oxolan-2-ylmethyl)naphthalene-1-carboxamide
CID 3851768
N-(oxolan-2-ylmethyl)benzamide
CID 2842558
Benzamide, N-tetrahydrofurfuryl-4-fluoro-
CID 531952
Benzamide, N-tetrahydrofurfuryl-4-methyl-
CID 531825
Benzamide, N-tetrahydrofurfuryl-2-methyl-
CID 531862
N-heptan-4-yl-3-(trifluoromethyl)benzamide
CID 57527759

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)benzamide (CID 2971075) is N-[1-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)benzamide is CC(NC(=O)c1cccc(C(F)(F)F)c1)C1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is KSQBRBVUPPGKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-9(12-6-3-7-20-12)18-13(19)10-4-2-5-11(8-10)14(15,16)17/h2,4-5,8-9,12H,3,6-7H2,1H3,(H,18,19).
What are the key properties of N-[1-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)benzamide?
N-[1-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 287.28 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 2971075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).