N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4,5-trimethoxybenzamide

C19H20FNO5 — CID 46090164

IUPACN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCC2Cc3cc(F)ccc3O2)cc(OC)c1OC
InChIInChI=1S/C19H20FNO5/c1-23-16-8-12(9-17(24-2)18(16)25-3)19(22)21-10-14-7-11-6-13(20)4-5-15(11)26-14/h4-6,8-9,14H,7,10H2,1-3H3,(H,21,22)
InChIKeyUKDWJQNUMRYQIN-UHFFFAOYSA-N
MW361.37 g/mol
LogP2.59
Rot. Bonds6

About N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4,5-trimethoxybenzamide

N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4,5-trimethoxybenzamide (PubChem CID 46090164) has the molecular formula C19H20FNO5 and a molecular weight of 361.37 g/mol. Its IUPAC name is N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4,5-trimethoxybenzamide
PubChem CID46090164
Molecular FormulaC19H20FNO5
Molecular Weight361.37 g/mol
Exact Mass361.13
IUPAC NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCC2Cc3cc(F)ccc3O2)cc(OC)c1OC
InChIInChI=1S/C19H20FNO5/c1-23-16-8-12(9-17(24-2)18(16)25-3)19(22)21-10-14-7-11-6-13(20)4-5-15(11)26-14/h4-6,8-9,14H,7,10H2,1-3H3,(H,21,22)
InChIKeyUKDWJQNUMRYQIN-UHFFFAOYSA-N
XLogP2.59
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 39237930
4-fluoro-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 92756967
N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylbenzamide
CID 92756956
3-fluoro-N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(trifluoromethyl)benzamide
CID 92759603
3,4-dimethoxy-N-[[(2R)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 92767700
2,3,4,5,6-pentafluoro-N-[[(2S)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 92760110
N-[[(2S)-7-(5-acetyl-2-fluorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 42452171
4-fluoro-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 46082466
4-fluoro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methoxyaniline
CID 114839479
N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]naphthalene-2-carboxamide
CID 92760795
4-bromo-N-[[(2S)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylbenzamide
CID 92758303
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methoxypropan-1-amine
CID 66365462

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4,5-trimethoxybenzamide (CID 46090164) is N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCC2Cc3cc(F)ccc3O2)cc(OC)c1OC.
What is the InChIKey of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4,5-trimethoxybenzamide?
The InChIKey is UKDWJQNUMRYQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO5/c1-23-16-8-12(9-17(24-2)18(16)25-3)19(22)21-10-14-7-11-6-13(20)4-5-15(11)26-14/h4-6,8-9,14H,7,10H2,1-3H3,(H,21,22).
What are the key properties of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4,5-trimethoxybenzamide?
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4,5-trimethoxybenzamide has a molecular weight of 361.37 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 46090164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).