N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C19H17F3N2O4 — CID 55588553

IUPACN-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCOc1cccc2cc(C(C)NC(=O)Cn3cccc(C(F)(F)F)c3=O)oc12
InChIInChI=1S/C19H17F3N2O4/c1-11(15-9-12-5-3-7-14(27-2)17(12)28-15)23-16(25)10-24-8-4-6-13(18(24)26)19(20,21)22/h3-9,11H,10H2,1-2H3,(H,23,25)
InChIKeyNSPFMDCGBXDMHI-UHFFFAOYSA-N
MW394.35 g/mol
LogP3.50
Rot. Bonds5

About N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 55588553) has the molecular formula C19H17F3N2O4 and a molecular weight of 394.35 g/mol. Its IUPAC name is N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID55588553
Molecular FormulaC19H17F3N2O4
Molecular Weight394.35 g/mol
Exact Mass394.11
IUPAC NameN-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCOc1cccc2cc(C(C)NC(=O)Cn3cccc(C(F)(F)F)c3=O)oc12
InChIInChI=1S/C19H17F3N2O4/c1-11(15-9-12-5-3-7-14(27-2)17(12)28-15)23-16(25)10-24-8-4-6-13(18(24)26)19(20,21)22/h3-9,11H,10H2,1-2H3,(H,23,25)
InChIKeyNSPFMDCGBXDMHI-UHFFFAOYSA-N
XLogP3.50
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55543815
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 55588029
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]acetamide
CID 55706810
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide
CID 47020753
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55588689
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(1S)-1-(7-methoxy-1-benzofuran-2-yl)ethyl]acetamide
CID 33001757
3-(3,4-dimethoxyphenyl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide
CID 55588613
methyl 3-(4-fluorophenyl)-3-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoate
CID 55995564
N-[1-[4-(3-methylbutoxy)phenyl]ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 86877255
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propanamide
CID 55588775
N-[3-[1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]ethyl]phenyl]benzamide
CID 55693879
N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 42926696

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 55588553) is N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is COc1cccc2cc(C(C)NC(=O)Cn3cccc(C(F)(F)F)c3=O)oc12.
What is the InChIKey of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is NSPFMDCGBXDMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O4/c1-11(15-9-12-5-3-7-14(27-2)17(12)28-15)23-16(25)10-24-8-4-6-13(18(24)26)19(20,21)22/h3-9,11H,10H2,1-2H3,(H,23,25).
What are the key properties of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 394.35 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 55588553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).