N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfanyl)benzamide

C16H16ClFN2OS — CID 18378796

IUPACN-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfanyl)benzamide
SMILESCC(C)CSc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1F
InChIInChI=1S/C16H16ClFN2OS/c1-10(2)9-22-14-5-3-11(7-13(14)18)16(21)20-12-4-6-15(17)19-8-12/h3-8,10H,9H2,1-2H3,(H,20,21)
InChIKeyNUEYNUCOVOZUMM-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.87
Rot. Bonds5

About N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfanyl)benzamide

N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfanyl)benzamide (PubChem CID 18378796) has the molecular formula C16H16ClFN2OS and a molecular weight of 338.84 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfanyl)benzamide
PubChem CID18378796
Molecular FormulaC16H16ClFN2OS
Molecular Weight338.84 g/mol
Exact Mass338.07
IUPAC NameN-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfanyl)benzamide
SMILESCC(C)CSc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1F
InChIInChI=1S/C16H16ClFN2OS/c1-10(2)9-22-14-5-3-11(7-13(14)18)16(21)20-12-4-6-15(17)19-8-12/h3-8,10H,9H2,1-2H3,(H,20,21)
InChIKeyNUEYNUCOVOZUMM-UHFFFAOYSA-N
XLogP4.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfanyl)benzamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfanyl)benzamide (CID 18378796) is N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfanyl)benzamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfanyl)benzamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfanyl)benzamide is CC(C)CSc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1F.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfanyl)benzamide?
The InChIKey is NUEYNUCOVOZUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2OS/c1-10(2)9-22-14-5-3-11(7-13(14)18)16(21)20-12-4-6-15(17)19-8-12/h3-8,10H,9H2,1-2H3,(H,20,21).
What are the key properties of N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfanyl)benzamide?
N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfanyl)benzamide has a molecular weight of 338.84 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfanyl)benzamide is sourced from PubChem (CID 18378796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).