(3R)-5-bromo-N-(2,2-difluoroethyl)-N-propyl-2,3-dihydro-1-benzofuran-3-carboxamide

C14H16BrF2NO2 — CID 97328068

IUPAC(3R)-5-bromo-N-(2,2-difluoroethyl)-N-propyl-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCCCN(CC(F)F)C(=O)[C@H]1COc2ccc(Br)cc21
InChIInChI=1S/C14H16BrF2NO2/c1-2-5-18(7-13(16)17)14(19)11-8-20-12-4-3-9(15)6-10(11)12/h3-4,6,11,13H,2,5,7-8H2,1H3/t11-/m0/s1
InChIKeyFMSLIHWZQMWGPG-NSHDSACASA-N
MW348.19 g/mol
LogP3.43
Rot. Bonds5

About (3R)-5-bromo-N-(2,2-difluoroethyl)-N-propyl-2,3-dihydro-1-benzofuran-3-carboxamide

(3R)-5-bromo-N-(2,2-difluoroethyl)-N-propyl-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 97328068) has the molecular formula C14H16BrF2NO2 and a molecular weight of 348.19 g/mol. Its IUPAC name is (3R)-5-bromo-N-(2,2-difluoroethyl)-N-propyl-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name(3R)-5-bromo-N-(2,2-difluoroethyl)-N-propyl-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID97328068
Molecular FormulaC14H16BrF2NO2
Molecular Weight348.19 g/mol
Exact Mass347.03
IUPAC Name(3R)-5-bromo-N-(2,2-difluoroethyl)-N-propyl-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCCCN(CC(F)F)C(=O)[C@H]1COc2ccc(Br)cc21
InChIInChI=1S/C14H16BrF2NO2/c1-2-5-18(7-13(16)17)14(19)11-8-20-12-4-3-9(15)6-10(11)12/h3-4,6,11,13H,2,5,7-8H2,1H3/t11-/m0/s1
InChIKeyFMSLIHWZQMWGPG-NSHDSACASA-N
XLogP3.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-bromo-N-(2,2-difluoroethyl)-N-propyl-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of (3R)-5-bromo-N-(2,2-difluoroethyl)-N-propyl-2,3-dihydro-1-benzofuran-3-carboxamide (CID 97328068) is (3R)-5-bromo-N-(2,2-difluoroethyl)-N-propyl-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for (3R)-5-bromo-N-(2,2-difluoroethyl)-N-propyl-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for (3R)-5-bromo-N-(2,2-difluoroethyl)-N-propyl-2,3-dihydro-1-benzofuran-3-carboxamide is CCCN(CC(F)F)C(=O)[C@H]1COc2ccc(Br)cc21.
What is the InChIKey of (3R)-5-bromo-N-(2,2-difluoroethyl)-N-propyl-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is FMSLIHWZQMWGPG-NSHDSACASA-N. The full InChI is InChI=1S/C14H16BrF2NO2/c1-2-5-18(7-13(16)17)14(19)11-8-20-12-4-3-9(15)6-10(11)12/h3-4,6,11,13H,2,5,7-8H2,1H3/t11-/m0/s1.
What are the key properties of (3R)-5-bromo-N-(2,2-difluoroethyl)-N-propyl-2,3-dihydro-1-benzofuran-3-carboxamide?
(3R)-5-bromo-N-(2,2-difluoroethyl)-N-propyl-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 348.19 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-bromo-N-(2,2-difluoroethyl)-N-propyl-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 97328068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).