N-[(2-fluorophenyl)methyl]-2-methoxy-4-methylsulfanylbenzamide

C16H16FNO2S — CID 7924721

IUPACN-[(2-fluorophenyl)methyl]-2-methoxy-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)NCc1ccccc1F
InChIInChI=1S/C16H16FNO2S/c1-20-15-9-12(21-2)7-8-13(15)16(19)18-10-11-5-3-4-6-14(11)17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyBJICRAVTCWBQIT-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.49
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-2-methoxy-4-methylsulfanylbenzamide

N-[(2-fluorophenyl)methyl]-2-methoxy-4-methylsulfanylbenzamide (PubChem CID 7924721) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-methoxy-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-methoxy-4-methylsulfanylbenzamide
PubChem CID7924721
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC NameN-[(2-fluorophenyl)methyl]-2-methoxy-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)NCc1ccccc1F
InChIInChI=1S/C16H16FNO2S/c1-20-15-9-12(21-2)7-8-13(15)16(19)18-10-11-5-3-4-6-14(11)17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyBJICRAVTCWBQIT-UHFFFAOYSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 9200783
2-methoxy-4-methylsulfanyl-N-propylbenzamide
CID 2271058
N-[2-(2-ethoxyphenyl)ethyl]-2-methoxy-4-methylsulfanylbenzamide
CID 23823481
2-methoxy-N-[(4-methylphenyl)methyl]-4-methylsulfanylbenzamide
CID 670832
N-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide
CID 17068329
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 27514924
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methoxy-4-methylsulfanylbenzamide
CID 3730125
N-[(2-fluorophenyl)methyl]-2-hydroxy-5-methoxybenzamide
CID 60630315
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 7364201
5-chloro-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26586354
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-fluorobenzamide
CID 54785477
2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912738

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-methoxy-4-methylsulfanylbenzamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-methoxy-4-methylsulfanylbenzamide (CID 7924721) is N-[(2-fluorophenyl)methyl]-2-methoxy-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-methoxy-4-methylsulfanylbenzamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-methoxy-4-methylsulfanylbenzamide is COc1cc(SC)ccc1C(=O)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-methoxy-4-methylsulfanylbenzamide?
The InChIKey is BJICRAVTCWBQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S/c1-20-15-9-12(21-2)7-8-13(15)16(19)18-10-11-5-3-4-6-14(11)17/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-methoxy-4-methylsulfanylbenzamide?
N-[(2-fluorophenyl)methyl]-2-methoxy-4-methylsulfanylbenzamide has a molecular weight of 305.37 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-methoxy-4-methylsulfanylbenzamide is sourced from PubChem (CID 7924721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).