7-fluoro-N,3-dimethyl-N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide

C19H25FN2O3 — CID 23723756

IUPAC7-fluoro-N,3-dimethyl-N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)CCCCN2CCOCC2)oc2c(F)cccc12
InChIInChI=1S/C19H25FN2O3/c1-14-15-6-5-7-16(20)18(15)25-17(14)19(23)21(2)8-3-4-9-22-10-12-24-13-11-22/h5-7H,3-4,8-13H2,1-2H3
InChIKeyOHCMUMNLXBDXPT-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.06
Rot. Bonds6

About 7-fluoro-N,3-dimethyl-N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide

7-fluoro-N,3-dimethyl-N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide (PubChem CID 23723756) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is 7-fluoro-N,3-dimethyl-N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N,3-dimethyl-N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide
PubChem CID23723756
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name7-fluoro-N,3-dimethyl-N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)CCCCN2CCOCC2)oc2c(F)cccc12
InChIInChI=1S/C19H25FN2O3/c1-14-15-6-5-7-16(20)18(15)25-17(14)19(23)21(2)8-3-4-9-22-10-12-24-13-11-22/h5-7H,3-4,8-13H2,1-2H3
InChIKeyOHCMUMNLXBDXPT-UHFFFAOYSA-N
XLogP3.06
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N,3-dimethyl-N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-N,3-dimethyl-N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide (CID 23723756) is 7-fluoro-N,3-dimethyl-N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-N,3-dimethyl-N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-N,3-dimethyl-N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(C)CCCCN2CCOCC2)oc2c(F)cccc12.
What is the InChIKey of 7-fluoro-N,3-dimethyl-N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide?
The InChIKey is OHCMUMNLXBDXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-14-15-6-5-7-16(20)18(15)25-17(14)19(23)21(2)8-3-4-9-22-10-12-24-13-11-22/h5-7H,3-4,8-13H2,1-2H3.
What are the key properties of 7-fluoro-N,3-dimethyl-N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide?
7-fluoro-N,3-dimethyl-N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 3.06, 6 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-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 23723756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).