7-fluoro-N,3-dimethyl-N-[1-[2-(2,2,2-trifluoroethoxy)propanoyl]azetidin-3-yl]-1-benzofuran-2-carboxamide

C19H20F4N2O4 — CID 167937659

IUPAC7-fluoro-N,3-dimethyl-N-[1-[2-(2,2,2-trifluoroethoxy)propanoyl]azetidin-3-yl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)C2CN(C(=O)C(C)OCC(F)(F)F)C2)oc2c(F)cccc12
InChIInChI=1S/C19H20F4N2O4/c1-10-13-5-4-6-14(20)16(13)29-15(10)18(27)24(3)12-7-25(8-12)17(26)11(2)28-9-19(21,22)23/h4-6,11-12H,7-9H2,1-3H3
InChIKeyMNMZJGHJZRRTNQ-UHFFFAOYSA-N
MW416.37 g/mol
LogP3.13
Rot. Bonds5

About 7-fluoro-N,3-dimethyl-N-[1-[2-(2,2,2-trifluoroethoxy)propanoyl]azetidin-3-yl]-1-benzofuran-2-carboxamide

7-fluoro-N,3-dimethyl-N-[1-[2-(2,2,2-trifluoroethoxy)propanoyl]azetidin-3-yl]-1-benzofuran-2-carboxamide (PubChem CID 167937659) has the molecular formula C19H20F4N2O4 and a molecular weight of 416.37 g/mol. Its IUPAC name is 7-fluoro-N,3-dimethyl-N-[1-[2-(2,2,2-trifluoroethoxy)propanoyl]azetidin-3-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N,3-dimethyl-N-[1-[2-(2,2,2-trifluoroethoxy)propanoyl]azetidin-3-yl]-1-benzofuran-2-carboxamide
PubChem CID167937659
Molecular FormulaC19H20F4N2O4
Molecular Weight416.37 g/mol
Exact Mass416.14
IUPAC Name7-fluoro-N,3-dimethyl-N-[1-[2-(2,2,2-trifluoroethoxy)propanoyl]azetidin-3-yl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)C2CN(C(=O)C(C)OCC(F)(F)F)C2)oc2c(F)cccc12
InChIInChI=1S/C19H20F4N2O4/c1-10-13-5-4-6-14(20)16(13)29-15(10)18(27)24(3)12-7-25(8-12)17(26)11(2)28-9-19(21,22)23/h4-6,11-12H,7-9H2,1-3H3
InChIKeyMNMZJGHJZRRTNQ-UHFFFAOYSA-N
XLogP3.13
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N,3-dimethyl-N-[1-[2-(2,2,2-trifluoroethoxy)propanoyl]azetidin-3-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-N,3-dimethyl-N-[1-[2-(2,2,2-trifluoroethoxy)propanoyl]azetidin-3-yl]-1-benzofuran-2-carboxamide (CID 167937659) is 7-fluoro-N,3-dimethyl-N-[1-[2-(2,2,2-trifluoroethoxy)propanoyl]azetidin-3-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-N,3-dimethyl-N-[1-[2-(2,2,2-trifluoroethoxy)propanoyl]azetidin-3-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-N,3-dimethyl-N-[1-[2-(2,2,2-trifluoroethoxy)propanoyl]azetidin-3-yl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(C)C2CN(C(=O)C(C)OCC(F)(F)F)C2)oc2c(F)cccc12.
What is the InChIKey of 7-fluoro-N,3-dimethyl-N-[1-[2-(2,2,2-trifluoroethoxy)propanoyl]azetidin-3-yl]-1-benzofuran-2-carboxamide?
The InChIKey is MNMZJGHJZRRTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N2O4/c1-10-13-5-4-6-14(20)16(13)29-15(10)18(27)24(3)12-7-25(8-12)17(26)11(2)28-9-19(21,22)23/h4-6,11-12H,7-9H2,1-3H3.
What are the key properties of 7-fluoro-N,3-dimethyl-N-[1-[2-(2,2,2-trifluoroethoxy)propanoyl]azetidin-3-yl]-1-benzofuran-2-carboxamide?
7-fluoro-N,3-dimethyl-N-[1-[2-(2,2,2-trifluoroethoxy)propanoyl]azetidin-3-yl]-1-benzofuran-2-carboxamide has a molecular weight of 416.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N,3-dimethyl-N-[1-[2-(2,2,2-trifluoroethoxy)propanoyl]azetidin-3-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 167937659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).