N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide

C17H18FNOS — CID 78800898

IUPACN-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1ccc(SC)cc1
InChIInChI=1S/C17H18FNOS/c1-3-19(12-13-5-4-6-15(18)11-13)17(20)14-7-9-16(21-2)10-8-14/h4-11H,3,12H2,1-2H3
InChIKeyFPKPKYADECRRPG-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.21
Rot. Bonds5

About N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide

N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide (PubChem CID 78800898) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide
PubChem CID78800898
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC NameN-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1ccc(SC)cc1
InChIInChI=1S/C17H18FNOS/c1-3-19(12-13-5-4-6-15(18)11-13)17(20)14-7-9-16(21-2)10-8-14/h4-11H,3,12H2,1-2H3
InChIKeyFPKPKYADECRRPG-UHFFFAOYSA-N
XLogP4.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-ethyl-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 61138218
4-bromo-3-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 81294804
N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 78800954
N,N-diethyl-4-methylsulfanylbenzamide;ethane
CID 145226293
N-ethyl-N-[(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 27861535
N-[4-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide
CID 17403869
2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 60655580
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
4-chloro-3-(dimethylsulfamoyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 51189994
4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 47011435
3-benzamido-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylbenzamide
CID 46410054
N,N-diethyl-4-[[[ethylamino-[(3-fluorophenyl)methyl-methylamino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111285186

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide?
The IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide (CID 78800898) is N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide.
What is the SMILES notation for N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide?
The canonical SMILES for N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide is CCN(Cc1cccc(F)c1)C(=O)c1ccc(SC)cc1.
What is the InChIKey of N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide?
The InChIKey is FPKPKYADECRRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS/c1-3-19(12-13-5-4-6-15(18)11-13)17(20)14-7-9-16(21-2)10-8-14/h4-11H,3,12H2,1-2H3.
What are the key properties of N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide?
N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide has a molecular weight of 303.40 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide is sourced from PubChem (CID 78800898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).