4-fluoro-2-methyl-N-(5-methylsulfanylpentyl)benzamide

C14H20FNOS — CID 104920099

IUPAC4-fluoro-2-methyl-N-(5-methylsulfanylpentyl)benzamide
SMILESCSCCCCCNC(=O)c1ccc(F)cc1C
InChIInChI=1S/C14H20FNOS/c1-11-10-12(15)6-7-13(11)14(17)16-8-4-3-5-9-18-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)
InChIKeyBCWRGLKCUJUHSY-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.40
Rot. Bonds7

About 4-fluoro-2-methyl-N-(5-methylsulfanylpentyl)benzamide

4-fluoro-2-methyl-N-(5-methylsulfanylpentyl)benzamide (PubChem CID 104920099) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(5-methylsulfanylpentyl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(5-methylsulfanylpentyl)benzamide
PubChem CID104920099
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC Name4-fluoro-2-methyl-N-(5-methylsulfanylpentyl)benzamide
SMILESCSCCCCCNC(=O)c1ccc(F)cc1C
InChIInChI=1S/C14H20FNOS/c1-11-10-12(15)6-7-13(11)14(17)16-8-4-3-5-9-18-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)
InChIKeyBCWRGLKCUJUHSY-UHFFFAOYSA-N
XLogP3.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-hydroxy-N-(4-methylsulfanylbutyl)benzamide
CID 113304588
4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide
CID 106841516
N-(4-amino-4-oxobutyl)-4-fluoro-2-methylbenzamide
CID 112702489
4-fluoro-3-methyl-N-(6-methylsulfanylhexyl)benzamide
CID 113412198
2-fluoro-N-(5-methylsulfanylpentyl)benzamide
CID 104920148
4-fluoro-3-methyl-N-(4-methylsulfanylbutyl)benzamide
CID 115635798
5-bromo-2-methyl-N-(5-methylsulfanylpentyl)benzamide
CID 104920100
2-bromo-4-methyl-N-(5-methylsulfanylpentyl)benzamide
CID 104920154
2-[2-[(4-fluoro-2-methylbenzoyl)amino]ethylsulfanyl]acetic acid
CID 120526481
2-fluoro-N-(5-methylsulfanylpentyl)-5-sulfanylbenzamide
CID 114129326
ethyl 4-[(4-fluoro-2-methylbenzoyl)amino]butanoate
CID 112702353
5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide
CID 103919616

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(5-methylsulfanylpentyl)benzamide?
The IUPAC name of 4-fluoro-2-methyl-N-(5-methylsulfanylpentyl)benzamide (CID 104920099) is 4-fluoro-2-methyl-N-(5-methylsulfanylpentyl)benzamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-(5-methylsulfanylpentyl)benzamide?
The canonical SMILES for 4-fluoro-2-methyl-N-(5-methylsulfanylpentyl)benzamide is CSCCCCCNC(=O)c1ccc(F)cc1C.
What is the InChIKey of 4-fluoro-2-methyl-N-(5-methylsulfanylpentyl)benzamide?
The InChIKey is BCWRGLKCUJUHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-11-10-12(15)6-7-13(11)14(17)16-8-4-3-5-9-18-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17).
What are the key properties of 4-fluoro-2-methyl-N-(5-methylsulfanylpentyl)benzamide?
4-fluoro-2-methyl-N-(5-methylsulfanylpentyl)benzamide has a molecular weight of 269.38 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(5-methylsulfanylpentyl)benzamide is sourced from PubChem (CID 104920099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).