2-fluoro-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide

C12H13F4NO3 — CID 86921725

IUPAC2-fluoro-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCOCC(F)(F)F)c(F)c1
InChIInChI=1S/C12H13F4NO3/c1-19-8-2-3-9(10(13)6-8)11(18)17-4-5-20-7-12(14,15)16/h2-3,6H,4-5,7H2,1H3,(H,17,18)
InChIKeyJIWGGNPGWUYNIR-UHFFFAOYSA-N
MW295.23 g/mol
LogP2.14
Rot. Bonds6

About 2-fluoro-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide

2-fluoro-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide (PubChem CID 86921725) has the molecular formula C12H13F4NO3 and a molecular weight of 295.23 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
PubChem CID86921725
Molecular FormulaC12H13F4NO3
Molecular Weight295.23 g/mol
Exact Mass295.08
IUPAC Name2-fluoro-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCOCC(F)(F)F)c(F)c1
InChIInChI=1S/C12H13F4NO3/c1-19-8-2-3-9(10(13)6-8)11(18)17-4-5-20-7-12(14,15)16/h2-3,6H,4-5,7H2,1H3,(H,17,18)
InChIKeyJIWGGNPGWUYNIR-UHFFFAOYSA-N
XLogP2.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide
CID 102883572
2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide
CID 30756648
2,3-difluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 62865819
2-fluoro-4-methoxy-N-pent-3-ynylbenzamide
CID 103951557
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CID 103602887
N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-4-methoxybenzamide
CID 9224867
2-amino-4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 55261445
N-[2-(2-hydroxyethoxy)ethyl]-2,4-dimethoxybenzamide
CID 60654650
ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate
CID 87037221
2-fluoro-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 113219291
2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide
CID 17408402
N-but-2-ynyl-2-fluoro-4-methoxybenzamide
CID 103868606

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide?
The IUPAC name of 2-fluoro-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide (CID 86921725) is 2-fluoro-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide?
The canonical SMILES for 2-fluoro-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide is COc1ccc(C(=O)NCCOCC(F)(F)F)c(F)c1.
What is the InChIKey of 2-fluoro-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide?
The InChIKey is JIWGGNPGWUYNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO3/c1-19-8-2-3-9(10(13)6-8)11(18)17-4-5-20-7-12(14,15)16/h2-3,6H,4-5,7H2,1H3,(H,17,18).
What are the key properties of 2-fluoro-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide?
2-fluoro-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide has a molecular weight of 295.23 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide is sourced from PubChem (CID 86921725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).