N-[(2-fluorophenyl)methyl]-2-methyl-5-sulfanylbenzamide

C15H14FNOS — CID 107021173

IUPACN-[(2-fluorophenyl)methyl]-2-methyl-5-sulfanylbenzamide
SMILESCc1ccc(S)cc1C(=O)NCc1ccccc1F
InChIInChI=1S/C15H14FNOS/c1-10-6-7-12(19)8-13(10)15(18)17-9-11-4-2-3-5-14(11)16/h2-8,19H,9H2,1H3,(H,17,18)
InChIKeyCMYBNOMGHJVKFX-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.35
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-2-methyl-5-sulfanylbenzamide

N-[(2-fluorophenyl)methyl]-2-methyl-5-sulfanylbenzamide (PubChem CID 107021173) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-methyl-5-sulfanylbenzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-methyl-5-sulfanylbenzamide
PubChem CID107021173
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC NameN-[(2-fluorophenyl)methyl]-2-methyl-5-sulfanylbenzamide
SMILESCc1ccc(S)cc1C(=O)NCc1ccccc1F
InChIInChI=1S/C15H14FNOS/c1-10-6-7-12(19)8-13(10)15(18)17-9-11-4-2-3-5-14(11)16/h2-8,19H,9H2,1H3,(H,17,18)
InChIKeyCMYBNOMGHJVKFX-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-methylbenzamide
CID 115598801
2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide
CID 62510380
N-(2-methoxyethyl)-2-methyl-5-sulfanylbenzamide
CID 107019480
N-[(2,5-difluorophenyl)methyl]-2-fluoro-5-sulfanylbenzamide
CID 107030046
N-[(2-bromophenyl)methyl]-5-fluoro-2-methylbenzamide
CID 55025566
2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 62649874
N-[(2-hydroxyphenyl)methyl]-2,5-dimethylbenzamide
CID 115598856
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid
CID 43397101
2-methyl-N-(1,2-oxazol-5-ylmethyl)-5-sulfanylbenzamide
CID 114186980
N-(5-hydroxypentyl)-2-methyl-5-sulfanylbenzamide
CID 107323824
2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide
CID 110755457

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-methyl-5-sulfanylbenzamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-methyl-5-sulfanylbenzamide (CID 107021173) is N-[(2-fluorophenyl)methyl]-2-methyl-5-sulfanylbenzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-methyl-5-sulfanylbenzamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-methyl-5-sulfanylbenzamide is Cc1ccc(S)cc1C(=O)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-methyl-5-sulfanylbenzamide?
The InChIKey is CMYBNOMGHJVKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNOS/c1-10-6-7-12(19)8-13(10)15(18)17-9-11-4-2-3-5-14(11)16/h2-8,19H,9H2,1H3,(H,17,18).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-methyl-5-sulfanylbenzamide?
N-[(2-fluorophenyl)methyl]-2-methyl-5-sulfanylbenzamide has a molecular weight of 275.35 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-methyl-5-sulfanylbenzamide is sourced from PubChem (CID 107021173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).