N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide

C20H24FNO3 — CID 9437325

IUPACN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide
SMILESCCOc1ccc([C@H](C)NC(=O)Cc2cccc(F)c2)cc1OCC
InChIInChI=1S/C20H24FNO3/c1-4-24-18-10-9-16(13-19(18)25-5-2)14(3)22-20(23)12-15-7-6-8-17(21)11-15/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,23)/t14-/m0/s1
InChIKeyONAIGQMTUXHDKL-AWEZNQCLSA-N
MW345.41 g/mol
LogP4.04
Rot. Bonds8

About N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide

N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 9437325) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide
PubChem CID9437325
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC NameN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide
SMILESCCOc1ccc([C@H](C)NC(=O)Cc2cccc(F)c2)cc1OCC
InChIInChI=1S/C20H24FNO3/c1-4-24-18-10-9-16(13-19(18)25-5-2)14(3)22-20(23)12-15-7-6-8-17(21)11-15/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,23)/t14-/m0/s1
InChIKeyONAIGQMTUXHDKL-AWEZNQCLSA-N
XLogP4.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
CID 7311223
2-(3-bromophenyl)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 100701725
2-(3-fluorophenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 134045512
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 3554699
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-fluorophenyl)acetamide
CID 42961600
N-[1-(3-chlorophenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 42905870
N-[2-[1-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 46414977
3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 30389269
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)acetamide
CID 100755758
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46415728
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 26120183

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide (CID 9437325) is N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide is CCOc1ccc([C@H](C)NC(=O)Cc2cccc(F)c2)cc1OCC.
What is the InChIKey of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is ONAIGQMTUXHDKL-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-4-24-18-10-9-16(13-19(18)25-5-2)14(3)22-20(23)12-15-7-6-8-17(21)11-15/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,23)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide?
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 345.41 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 9437325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).