N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide

C19H18FNO3 — CID 2664215

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
SMILESCOc1ccc2c(CC(=O)N[C@@H](C)c3ccc(F)cc3)coc2c1
InChIInChI=1S/C19H18FNO3/c1-12(13-3-5-15(20)6-4-13)21-19(22)9-14-11-24-18-10-16(23-2)7-8-17(14)18/h3-8,10-12H,9H2,1-2H3,(H,21,22)/t12-/m0/s1
InChIKeyBIENOSIXWSROMV-LBPRGKRZSA-N
MW327.36 g/mol
LogP4.00
Rot. Bonds5

About N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide

N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide (PubChem CID 2664215) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
PubChem CID2664215
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
SMILESCOc1ccc2c(CC(=O)N[C@@H](C)c3ccc(F)cc3)coc2c1
InChIInChI=1S/C19H18FNO3/c1-12(13-3-5-15(20)6-4-13)21-19(22)9-14-11-24-18-10-16(23-2)7-8-17(14)18/h3-8,10-12H,9H2,1-2H3,(H,21,22)/t12-/m0/s1
InChIKeyBIENOSIXWSROMV-LBPRGKRZSA-N
XLogP4.00
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 51150333
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 7719010
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 9116010
N-[(1S)-1-(furan-2-yl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 40790081
(2R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]propanamide
CID 92542869
N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
CID 120505622
2-(6-methoxy-1-benzofuran-3-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 27742710
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 2713156
[4-(4-fluorobenzoyl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2713459
2-(6-methoxy-1-benzofuran-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 134054992
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide
CID 29290752
N-benzyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2598100

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide (CID 2664215) is N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide is COc1ccc2c(CC(=O)N[C@@H](C)c3ccc(F)cc3)coc2c1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The InChIKey is BIENOSIXWSROMV-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18FNO3/c1-12(13-3-5-15(20)6-4-13)21-19(22)9-14-11-24-18-10-16(23-2)7-8-17(14)18/h3-8,10-12H,9H2,1-2H3,(H,21,22)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide has a molecular weight of 327.36 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 2664215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).