N-[1,1-dideuterio-2-[2-(3-fluorophenyl)-4-methoxyphenyl]ethyl]acetamide

C17H18FNO2 — CID 170524040

IUPACN-[1,1-dideuterio-2-[2-(3-fluorophenyl)-4-methoxyphenyl]ethyl]acetamide
SMILES[2H]C([2H])(Cc1ccc(OC)cc1-c1cccc(F)c1)NC(C)=O
InChIInChI=1S/C17H18FNO2/c1-12(20)19-9-8-13-6-7-16(21-2)11-17(13)14-4-3-5-15(18)10-14/h3-7,10-11H,8-9H2,1-2H3,(H,19,20)/i9D2
InChIKeySLZKLBRIMIYCSA-KNXIQCGSSA-N
MW289.35 g/mol
LogP3.18
Rot. Bonds5

About N-[1,1-dideuterio-2-[2-(3-fluorophenyl)-4-methoxyphenyl]ethyl]acetamide

N-[1,1-dideuterio-2-[2-(3-fluorophenyl)-4-methoxyphenyl]ethyl]acetamide (PubChem CID 170524040) has the molecular formula C17H18FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[1,1-dideuterio-2-[2-(3-fluorophenyl)-4-methoxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1,1-dideuterio-2-[2-(3-fluorophenyl)-4-methoxyphenyl]ethyl]acetamide
PubChem CID170524040
Molecular FormulaC17H18FNO2
Molecular Weight289.35 g/mol
Exact Mass289.14
IUPAC NameN-[1,1-dideuterio-2-[2-(3-fluorophenyl)-4-methoxyphenyl]ethyl]acetamide
SMILES[2H]C([2H])(Cc1ccc(OC)cc1-c1cccc(F)c1)NC(C)=O
InChIInChI=1S/C17H18FNO2/c1-12(20)19-9-8-13-6-7-16(21-2)11-17(13)14-4-3-5-15(18)10-14/h3-7,10-11H,8-9H2,1-2H3,(H,19,20)/i9D2
InChIKeySLZKLBRIMIYCSA-KNXIQCGSSA-N
XLogP3.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-acetamidoethyl)-3-(3-fluorophenyl)phenyl] acetate
CID 159122206
2-[2-(3-fluorophenyl)-4-methoxyphenyl]acetamide
CID 153365013
N-[2-[4-(3,4-dihydroxyoxolan-2-yl)oxy-2-(3-fluorophenyl)phenyl]ethyl]acetamide
CID 134297173
N-[2-[4-[(3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-2-(3-fluorophenyl)phenyl]ethyl]acetamide
CID 71696417
N-[2-[2-(3-fluorophenyl)-4-(4-piperidin-4-ylcyclohexyl)oxyphenyl]ethyl]acetamide
CID 71695640
N-[2-[4-[[(7R,8R,9S,10R)-8,9-dihydroxy-10-methoxy-6-oxaspiro[4.5]dec-2-en-7-yl]oxy]-2-(3-fluorophenyl)phenyl]ethyl]acetamide
CID 153365103
N-[2-[4-[4-[(2-bromophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]ethyl]acetamide
CID 134280937
N-[2-[4-[4-[(4-bromophenyl)methoxy]cyclohexyl]oxy-2-(3-fluorophenyl)phenyl]ethyl]acetamide
CID 134281004
N-[2-[4-[(2R,3R,4S,5R,6R)-6-butyl-3,4-dihydroxy-5-methoxyoxan-2-yl]oxy-2-(3-fluorophenyl)phenyl]ethyl]acetamide
CID 170405856
N-[2-[4-[[(3aR,4S,6S,7S,7aR)-7-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-2-(3-fluorophenyl)phenyl]ethyl]acetamide
CID 158691843
N-[2-[4-[(2S,3R,4S,5R,6R)-3,4-dihydroxy-5-methoxy-6-prop-2-enyloxan-2-yl]oxy-2-(3-fluorophenyl)phenyl]ethyl]acetamide
CID 153364985
N-[2-[4-[[(3aR,4S,6S,7S,7aR)-7-hydroxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]oxy]-2-(3-fluorophenyl)phenyl]ethyl]acetamide
CID 153365052

Frequently Asked Questions

What is the IUPAC name of N-[1,1-dideuterio-2-[2-(3-fluorophenyl)-4-methoxyphenyl]ethyl]acetamide?
The IUPAC name of N-[1,1-dideuterio-2-[2-(3-fluorophenyl)-4-methoxyphenyl]ethyl]acetamide (CID 170524040) is N-[1,1-dideuterio-2-[2-(3-fluorophenyl)-4-methoxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[1,1-dideuterio-2-[2-(3-fluorophenyl)-4-methoxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[1,1-dideuterio-2-[2-(3-fluorophenyl)-4-methoxyphenyl]ethyl]acetamide is [2H]C([2H])(Cc1ccc(OC)cc1-c1cccc(F)c1)NC(C)=O.
What is the InChIKey of N-[1,1-dideuterio-2-[2-(3-fluorophenyl)-4-methoxyphenyl]ethyl]acetamide?
The InChIKey is SLZKLBRIMIYCSA-KNXIQCGSSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-12(20)19-9-8-13-6-7-16(21-2)11-17(13)14-4-3-5-15(18)10-14/h3-7,10-11H,8-9H2,1-2H3,(H,19,20)/i9D2.
What are the key properties of N-[1,1-dideuterio-2-[2-(3-fluorophenyl)-4-methoxyphenyl]ethyl]acetamide?
N-[1,1-dideuterio-2-[2-(3-fluorophenyl)-4-methoxyphenyl]ethyl]acetamide has a molecular weight of 289.35 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1-dideuterio-2-[2-(3-fluorophenyl)-4-methoxyphenyl]ethyl]acetamide is sourced from PubChem (CID 170524040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).