N-[(3-fluorophenyl)methyl]-N-methyl-3-methylsulfonylpropanamide

C12H16FNO3S — CID 78851523

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-3-methylsulfonylpropanamide
SMILESCN(Cc1cccc(F)c1)C(=O)CCS(C)(=O)=O
InChIInChI=1S/C12H16FNO3S/c1-14(12(15)6-7-18(2,16)17)9-10-4-3-5-11(13)8-10/h3-5,8H,6-7,9H2,1-2H3
InChIKeyLCLDHJNVDHJJSX-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.22
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-N-methyl-3-methylsulfonylpropanamide

N-[(3-fluorophenyl)methyl]-N-methyl-3-methylsulfonylpropanamide (PubChem CID 78851523) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-3-methylsulfonylpropanamide
PubChem CID78851523
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-3-methylsulfonylpropanamide
SMILESCN(Cc1cccc(F)c1)C(=O)CCS(C)(=O)=O
InChIInChI=1S/C12H16FNO3S/c1-14(12(15)6-7-18(2,16)17)9-10-4-3-5-11(13)8-10/h3-5,8H,6-7,9H2,1-2H3
InChIKeyLCLDHJNVDHJJSX-UHFFFAOYSA-N
XLogP1.22
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(3-fluorophenyl)methyl]-N-methylpentanamide
CID 28971589
4-amino-N-[(3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 119267070
3-(2-aminophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 43309193
N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylacetamide
CID 60636361
3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide
CID 28942552
N-[(3-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide
CID 86975850
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 86976069
2-tert-butylsulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 86975849
2-[[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 56810268
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
5-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934884
1-[(3-fluorophenyl)methyl]-1,2-dimethyl-3-(3-methylsulfonylpropyl)guanidine
CID 111285817

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-3-methylsulfonylpropanamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-3-methylsulfonylpropanamide (CID 78851523) is N-[(3-fluorophenyl)methyl]-N-methyl-3-methylsulfonylpropanamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-3-methylsulfonylpropanamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-3-methylsulfonylpropanamide is CN(Cc1cccc(F)c1)C(=O)CCS(C)(=O)=O.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-3-methylsulfonylpropanamide?
The InChIKey is LCLDHJNVDHJJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-14(12(15)6-7-18(2,16)17)9-10-4-3-5-11(13)8-10/h3-5,8H,6-7,9H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-3-methylsulfonylpropanamide?
N-[(3-fluorophenyl)methyl]-N-methyl-3-methylsulfonylpropanamide has a molecular weight of 273.33 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-3-methylsulfonylpropanamide is sourced from PubChem (CID 78851523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).