N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide

C19H21F2NO2 — CID 9231979

IUPACN-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)N[C@@H](C)c2ccc(F)cc2F)c(C)c1
InChIInChI=1S/C19H21F2NO2/c1-11-7-12(2)19(13(3)8-11)24-10-18(23)22-14(4)16-6-5-15(20)9-17(16)21/h5-9,14H,10H2,1-4H3,(H,22,23)/t14-/m0/s1
InChIKeyPJHMHEACBNGGCG-AWEZNQCLSA-N
MW333.38 g/mol
LogP4.15
Rot. Bonds5

About N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide

N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide (PubChem CID 9231979) has the molecular formula C19H21F2NO2 and a molecular weight of 333.38 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide
PubChem CID9231979
Molecular FormulaC19H21F2NO2
Molecular Weight333.38 g/mol
Exact Mass333.15
IUPAC NameN-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)N[C@@H](C)c2ccc(F)cc2F)c(C)c1
InChIInChI=1S/C19H21F2NO2/c1-11-7-12(2)19(13(3)8-11)24-10-18(23)22-14(4)16-6-5-15(20)9-17(16)21/h5-9,14H,10H2,1-4H3,(H,22,23)/t14-/m0/s1
InChIKeyPJHMHEACBNGGCG-AWEZNQCLSA-N
XLogP4.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenoxyacetamide
CID 8782142
[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791391
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 94843755
[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 2,3-dimethylbenzoate
CID 7968245
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 17425695
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 7503595
[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] benzoate
CID 7514907
[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 4-hydroxybenzoate
CID 7477760
2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 31311994
ethyl N-[1-(2,4-difluorophenyl)ethyl]carbamate
CID 60638339
[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 4-chlorobenzoate
CID 7484100
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 9429421

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide?
The IUPAC name of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide (CID 9231979) is N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide is Cc1cc(C)c(OCC(=O)N[C@@H](C)c2ccc(F)cc2F)c(C)c1.
What is the InChIKey of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide?
The InChIKey is PJHMHEACBNGGCG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21F2NO2/c1-11-7-12(2)19(13(3)8-11)24-10-18(23)22-14(4)16-6-5-15(20)9-17(16)21/h5-9,14H,10H2,1-4H3,(H,22,23)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide?
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide has a molecular weight of 333.38 g/mol, XLogP of 4.15, 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-difluorophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 9231979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).