N-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide

C17H18FNO2 — CID 94818625

IUPACN-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc([C@H](Cc2ccc(F)cc2)NC(C)=O)cc1
InChIInChI=1S/C17H18FNO2/c1-12(20)19-17(11-13-3-7-15(18)8-4-13)14-5-9-16(21-2)10-6-14/h3-10,17H,11H2,1-2H3,(H,19,20)/t17-/m0/s1
InChIKeyKQWFDGNRBFRTEJ-KRWDZBQOSA-N
MW287.33 g/mol
LogP3.25
Rot. Bonds5

About N-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide

N-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 94818625) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide
PubChem CID94818625
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC NameN-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc([C@H](Cc2ccc(F)cc2)NC(C)=O)cc1
InChIInChI=1S/C17H18FNO2/c1-12(20)19-17(11-13-3-7-15(18)8-4-13)14-5-9-16(21-2)10-6-14/h3-10,17H,11H2,1-2H3,(H,19,20)/t17-/m0/s1
InChIKeyKQWFDGNRBFRTEJ-KRWDZBQOSA-N
XLogP3.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide
CID 119306372
3-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide
CID 119306374
4-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]pentanamide
CID 120561463
N-(3,4-difluorophenyl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide
CID 97000116
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
N-[1,2-bis(4-methoxyphenyl)ethyl]-2-(2,4-difluorophenoxy)acetamide
CID 43060292
1-(cyclopropylmethyl)-1-ethyl-3-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]urea
CID 86940449
N-[1,2-bis(4-methoxyphenyl)ethyl]-4-fluorobenzenesulfonamide
CID 56728673
(3R)-N-[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]-3-hydroxypiperidine-1-carboxamide
CID 95267023
N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide
CID 119754107
N-(2,5-dimethylpyrazol-3-yl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide
CID 97068333
(2R)-N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 38928242

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of N-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide (CID 94818625) is N-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for N-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for N-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide is COc1ccc([C@H](Cc2ccc(F)cc2)NC(C)=O)cc1.
What is the InChIKey of N-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is KQWFDGNRBFRTEJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-12(20)19-17(11-13-3-7-15(18)8-4-13)14-5-9-16(21-2)10-6-14/h3-10,17H,11H2,1-2H3,(H,19,20)/t17-/m0/s1.
What are the key properties of N-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide?
N-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 287.33 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 94818625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).