3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide

C19H16F3NO4 — CID 55478663

IUPAC3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)Nc2ccc(OCC(F)(F)F)cc2)oc2ccccc12
InChIInChI=1S/C19H16F3NO4/c1-25-10-15-14-4-2-3-5-16(14)27-17(15)18(24)23-12-6-8-13(9-7-12)26-11-19(20,21)22/h2-9H,10-11H2,1H3,(H,23,24)
InChIKeyXUNVUXQFOQMZDC-UHFFFAOYSA-N
MW379.33 g/mol
LogP4.77
Rot. Bonds6

About 3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide

3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 55478663) has the molecular formula C19H16F3NO4 and a molecular weight of 379.33 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide
PubChem CID55478663
Molecular FormulaC19H16F3NO4
Molecular Weight379.33 g/mol
Exact Mass379.10
IUPAC Name3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)Nc2ccc(OCC(F)(F)F)cc2)oc2ccccc12
InChIInChI=1S/C19H16F3NO4/c1-25-10-15-14-4-2-3-5-16(14)27-17(15)18(24)23-12-6-8-13(9-7-12)26-11-19(20,21)22/h2-9H,10-11H2,1H3,(H,23,24)
InChIKeyXUNVUXQFOQMZDC-UHFFFAOYSA-N
XLogP4.77
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-anilinophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55370282
3-(ethoxymethyl)-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 7957155
propyl 4-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]benzoate
CID 29456795
N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55764550
N-(4-methylsulfonylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 18775166
N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 8779973
3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
CID 7734068
3-(methoxymethyl)-N-[3-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 18084321
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 49170375
N-(2-ethoxyphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 7699468
3-(methoxymethyl)-N-(6-piperidin-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide
CID 51319285
N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 9205135

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide (CID 55478663) is 3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide is COCc1c(C(=O)Nc2ccc(OCC(F)(F)F)cc2)oc2ccccc12.
What is the InChIKey of 3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is XUNVUXQFOQMZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO4/c1-25-10-15-14-4-2-3-5-16(14)27-17(15)18(24)23-12-6-8-13(9-7-12)26-11-19(20,21)22/h2-9H,10-11H2,1H3,(H,23,24).
What are the key properties of 3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide?
3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 379.33 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55478663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).