3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)benzamide

C13H10F3NO2 — CID 168526489

IUPAC3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1cccc(-c2ccco2)c1
InChIInChI=1S/C13H10F3NO2/c14-13(15,16)8-17-12(18)10-4-1-3-9(7-10)11-5-2-6-19-11/h1-7H,8H2,(H,17,18)
InChIKeyULSWNYYWLLQXIR-UHFFFAOYSA-N
MW269.22 g/mol
LogP3.24
Rot. Bonds3

About 3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)benzamide

3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 168526489) has the molecular formula C13H10F3NO2 and a molecular weight of 269.22 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID168526489
Molecular FormulaC13H10F3NO2
Molecular Weight269.22 g/mol
Exact Mass269.07
IUPAC Name3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1cccc(-c2ccco2)c1
InChIInChI=1S/C13H10F3NO2/c14-13(15,16)8-17-12(18)10-4-1-3-9(7-10)11-5-2-6-19-11/h1-7H,8H2,(H,17,18)
InChIKeyULSWNYYWLLQXIR-UHFFFAOYSA-N
XLogP3.24
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-3-(furan-2-yl)benzamide;propane
CID 159057604
N-cyclopropyl-3-(furan-2-yl)benzamide
CID 168525147
3-(furan-2-yl)benzoate
CID 7023055
N-(4-anilinophenyl)-3-(furan-2-yl)benzamide
CID 168528867
3-[4-(furan-2-yl)phenyl]benzoic acid
CID 168527049
3-(furan-2-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 91773049
5-pyridin-3-yl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 66666207
3-(tribromomethylsulfonyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 18717059
2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide
CID 103762808
3-(furan-2-yl)-N-methyl-N-phenylbenzamide
CID 168526169
3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 11414183
N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 111482579

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)benzamide (CID 168526489) is 3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)benzamide is O=C(NCC(F)(F)F)c1cccc(-c2ccco2)c1.
What is the InChIKey of 3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is ULSWNYYWLLQXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2/c14-13(15,16)8-17-12(18)10-4-1-3-9(7-10)11-5-2-6-19-11/h1-7H,8H2,(H,17,18).
What are the key properties of 3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)benzamide?
3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 269.22 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 168526489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).