N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(2-fluorophenoxy)acetamide

C16H13Cl2F2NO2 — CID 8795213

IUPACN-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(2-fluorophenoxy)acetamide
SMILESC[C@H](NC(=O)COc1ccccc1F)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2F2NO2/c1-9(10-6-14(20)12(18)7-11(10)17)21-16(22)8-23-15-5-3-2-4-13(15)19/h2-7,9H,8H2,1H3,(H,21,22)/t9-/m0/s1
InChIKeyQEFWHUHBOYXLKN-VIFPVBQESA-N
MW360.19 g/mol
LogP4.53
Rot. Bonds5

About N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(2-fluorophenoxy)acetamide

N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(2-fluorophenoxy)acetamide (PubChem CID 8795213) has the molecular formula C16H13Cl2F2NO2 and a molecular weight of 360.19 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(2-fluorophenoxy)acetamide
PubChem CID8795213
Molecular FormulaC16H13Cl2F2NO2
Molecular Weight360.19 g/mol
Exact Mass359.03
IUPAC NameN-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(2-fluorophenoxy)acetamide
SMILESC[C@H](NC(=O)COc1ccccc1F)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2F2NO2/c1-9(10-6-14(20)12(18)7-11(10)17)21-16(22)8-23-15-5-3-2-4-13(15)19/h2-7,9H,8H2,1H3,(H,21,22)/t9-/m0/s1
InChIKeyQEFWHUHBOYXLKN-VIFPVBQESA-N
XLogP4.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.19
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7719194
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 94843755
2-(2-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 16546160
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 2500589
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 2500586
2-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethoxy]benzamide
CID 4884296
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 7859030
2-(2-fluorophenoxy)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
CID 42563585
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842460
[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 8909021
methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methylpentanoate
CID 43404277
2-(2-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327655

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(2-fluorophenoxy)acetamide (CID 8795213) is N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(2-fluorophenoxy)acetamide is C[C@H](NC(=O)COc1ccccc1F)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is QEFWHUHBOYXLKN-VIFPVBQESA-N. The full InChI is InChI=1S/C16H13Cl2F2NO2/c1-9(10-6-14(20)12(18)7-11(10)17)21-16(22)8-23-15-5-3-2-4-13(15)19/h2-7,9H,8H2,1H3,(H,21,22)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(2-fluorophenoxy)acetamide?
N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 360.19 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 8795213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).