N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide

C19H18FNO4 — CID 95282118

IUPACN-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
SMILESCOc1ccc([C@H](C)NC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1F
InChIInChI=1S/C19H18FNO4/c1-11(12-7-8-16(24-2)15(20)9-12)21-18(22)10-17-13-5-3-4-6-14(13)19(23)25-17/h3-9,11,17H,10H2,1-2H3,(H,21,22)/t11-,17-/m0/s1
InChIKeyQMNJOXUNELMKHJ-GTNSWQLSSA-N
MW343.35 g/mol
LogP3.31
Rot. Bonds5

About N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide

N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide (PubChem CID 95282118) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
PubChem CID95282118
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC NameN-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
SMILESCOc1ccc([C@H](C)NC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1F
InChIInChI=1S/C19H18FNO4/c1-11(12-7-8-16(24-2)15(20)9-12)21-18(22)10-17-13-5-3-4-6-14(13)19(23)25-17/h3-9,11,17H,10H2,1-2H3,(H,21,22)/t11-,17-/m0/s1
InChIKeyQMNJOXUNELMKHJ-GTNSWQLSSA-N
XLogP3.31
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 94050094
N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 94050091
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 9051371
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46828547
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 46828553
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 9051417
N-(3-chloro-4-methoxyphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 26735813
2-(2-ethoxyphenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 9051491
2-(2-ethoxyphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 46828544
2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 17406382
5-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 62966105
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-pyridin-2-ylacetamide
CID 56704438

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The IUPAC name of N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide (CID 95282118) is N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The canonical SMILES for N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide is COc1ccc([C@H](C)NC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1F.
What is the InChIKey of N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The InChIKey is QMNJOXUNELMKHJ-GTNSWQLSSA-N. The full InChI is InChI=1S/C19H18FNO4/c1-11(12-7-8-16(24-2)15(20)9-12)21-18(22)10-17-13-5-3-4-6-14(13)19(23)25-17/h3-9,11,17H,10H2,1-2H3,(H,21,22)/t11-,17-/m0/s1.
What are the key properties of N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide has a molecular weight of 343.35 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide is sourced from PubChem (CID 95282118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).