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

C19H17F2NO3 — CID 51150333

IUPACN-[1-(2,4-difluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
SMILESCOc1ccc2c(CC(=O)NC(C)c3ccc(F)cc3F)coc2c1
InChIInChI=1S/C19H17F2NO3/c1-11(15-5-3-13(20)8-17(15)21)22-19(23)7-12-10-25-18-9-14(24-2)4-6-16(12)18/h3-6,8-11H,7H2,1-2H3,(H,22,23)
InChIKeyUQAYQQLMWREEMF-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.14
Rot. Bonds5

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

N-[1-(2,4-difluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide (PubChem CID 51150333) has the molecular formula C19H17F2NO3 and a molecular weight of 345.35 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
PubChem CID51150333
Molecular FormulaC19H17F2NO3
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
SMILESCOc1ccc2c(CC(=O)NC(C)c3ccc(F)cc3F)coc2c1
InChIInChI=1S/C19H17F2NO3/c1-11(15-5-3-13(20)8-17(15)21)22-19(23)7-12-10-25-18-9-14(24-2)4-6-16(12)18/h3-6,8-11H,7H2,1-2H3,(H,22,23)
InChIKeyUQAYQQLMWREEMF-UHFFFAOYSA-N
XLogP4.14
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2664215
N-[1-(2,4-difluorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78806064
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
4-[[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]methyl]-7-methoxychromen-2-one
CID 9368836
4-[[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]methyl]-7-methoxychromen-2-one
CID 9368842
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-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(6-ethyl-1-benzofuran-3-yl)acetamide
CID 9477513
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 7719010
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 51150426
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8782184

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide (CID 51150333) is N-[1-(2,4-difluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide is COc1ccc2c(CC(=O)NC(C)c3ccc(F)cc3F)coc2c1.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The InChIKey is UQAYQQLMWREEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO3/c1-11(15-5-3-13(20)8-17(15)21)22-19(23)7-12-10-25-18-9-14(24-2)4-6-16(12)18/h3-6,8-11H,7H2,1-2H3,(H,22,23).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
N-[1-(2,4-difluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide has a molecular weight of 345.35 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 51150333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).