2-(2-chloro-6-fluorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide

C15H21ClFNO3S — CID 95322200

IUPAC2-(2-chloro-6-fluorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide
SMILESCCN(C(=O)Cc1c(F)cccc1Cl)[C@H](C)CS(=O)(=O)CC
InChIInChI=1S/C15H21ClFNO3S/c1-4-18(11(3)10-22(20,21)5-2)15(19)9-12-13(16)7-6-8-14(12)17/h6-8,11H,4-5,9-10H2,1-3H3/t11-/m1/s1
InChIKeyQKSWPXDWWYADDT-LLVKDONJSA-N
MW349.86 g/mol
LogP2.69
Rot. Bonds7

About 2-(2-chloro-6-fluorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide

2-(2-chloro-6-fluorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide (PubChem CID 95322200) has the molecular formula C15H21ClFNO3S and a molecular weight of 349.86 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide
PubChem CID95322200
Molecular FormulaC15H21ClFNO3S
Molecular Weight349.86 g/mol
Exact Mass349.09
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide
SMILESCCN(C(=O)Cc1c(F)cccc1Cl)[C@H](C)CS(=O)(=O)CC
InChIInChI=1S/C15H21ClFNO3S/c1-4-18(11(3)10-22(20,21)5-2)15(19)9-12-13(16)7-6-8-14(12)17/h6-8,11H,4-5,9-10H2,1-3H3/t11-/m1/s1
InChIKeyQKSWPXDWWYADDT-LLVKDONJSA-N
XLogP2.69
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methylacetamide
CID 95625361
2-(2-chlorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide
CID 95625333
N-(2-bromoethyl)-2-(2-chloro-6-fluorophenyl)-N-propan-2-ylacetamide
CID 80666192
2-(2-chloro-6-fluorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 112704720
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2-chlorophenyl)methyl]amino]butanamide
CID 100698102
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2-chlorophenyl)methyl]amino]butanamide
CID 100698139
2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-ethylpropanamide
CID 132763365
2-(2-chloro-6-fluorophenyl)-N-ethyl-N-prop-2-ynylacetamide
CID 78970591
1-(2-chloro-6-fluorophenyl)-3-hydroxybutan-2-one
CID 103451311
(2R)-2-[benzyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-[(2R)-butan-2-yl]butanamide
CID 100653599
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 100575650
2-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106609545

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide (CID 95322200) is 2-(2-chloro-6-fluorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide is CCN(C(=O)Cc1c(F)cccc1Cl)[C@H](C)CS(=O)(=O)CC.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide?
The InChIKey is QKSWPXDWWYADDT-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21ClFNO3S/c1-4-18(11(3)10-22(20,21)5-2)15(19)9-12-13(16)7-6-8-14(12)17/h6-8,11H,4-5,9-10H2,1-3H3/t11-/m1/s1.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide has a molecular weight of 349.86 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide is sourced from PubChem (CID 95322200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).