2-(2-chloro-6-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide

C12H15ClFNO2 — CID 3437888

IUPAC2-(2-chloro-6-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H15ClFNO2/c1-8(7-17-2)15-12(16)6-9-10(13)4-3-5-11(9)14/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyNYJKLBBHIMKWJK-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.17
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide

2-(2-chloro-6-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 3437888) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID3437888
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H15ClFNO2/c1-8(7-17-2)15-12(16)6-9-10(13)4-3-5-11(9)14/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyNYJKLBBHIMKWJK-UHFFFAOYSA-N
XLogP2.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-(2-chloro-6-fluorophenyl)acetamide;hydrochloride
CID 120505968
2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 78808378
2-(2-chloro-6-fluorophenyl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2575385
2-(2-chloro-6-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2575382
2-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 839132
(2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-ethylpropanamide
CID 8750460
2-(2-chloro-6-fluorophenyl)-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 42998538
2-(2-chloro-6-fluorophenyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 55611461
2-(2-chloro-6-fluorophenyl)-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 35332134
2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43467796
2-(2-chloro-6-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide
CID 46588092
2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]butanedioic acid
CID 78910306

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide (CID 3437888) is 2-(2-chloro-6-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is NYJKLBBHIMKWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c1-8(7-17-2)15-12(16)6-9-10(13)4-3-5-11(9)14/h3-5,8H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide?
2-(2-chloro-6-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 259.71 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 3437888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).