N-(3-bromo-5-fluoro-2-pyridinyl)-4-(methylsulfanylmethyl)benzamide

C14H12BrFN2OS — CID 110495864

IUPACN-(3-bromo-5-fluoro-2-pyridinyl)-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)Nc2ncc(F)cc2Br)cc1
InChIInChI=1S/C14H12BrFN2OS/c1-20-8-9-2-4-10(5-3-9)14(19)18-13-12(15)6-11(16)7-17-13/h2-7H,8H2,1H3,(H,17,18,19)
InChIKeyPTYNRRNGHFVZMM-UHFFFAOYSA-N
MW355.23 g/mol
LogP4.10
Rot. Bonds4

About N-(3-bromo-5-fluoro-2-pyridinyl)-4-(methylsulfanylmethyl)benzamide

N-(3-bromo-5-fluoro-2-pyridinyl)-4-(methylsulfanylmethyl)benzamide (PubChem CID 110495864) has the molecular formula C14H12BrFN2OS and a molecular weight of 355.23 g/mol. Its IUPAC name is N-(3-bromo-5-fluoro-2-pyridinyl)-4-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-bromo-5-fluoro-2-pyridinyl)-4-(methylsulfanylmethyl)benzamide
PubChem CID110495864
Molecular FormulaC14H12BrFN2OS
Molecular Weight355.23 g/mol
Exact Mass353.98
IUPAC NameN-(3-bromo-5-fluoro-2-pyridinyl)-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)Nc2ncc(F)cc2Br)cc1
InChIInChI=1S/C14H12BrFN2OS/c1-20-8-9-2-4-10(5-3-9)14(19)18-13-12(15)6-11(16)7-17-13/h2-7H,8H2,1H3,(H,17,18,19)
InChIKeyPTYNRRNGHFVZMM-UHFFFAOYSA-N
XLogP4.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-5-fluoro-2-pyridinyl)-4-tert-butylbenzamide
CID 110495763
N-(3,4-difluorophenyl)-4-(methylsulfanylmethyl)benzamide
CID 9165699
N-(3-bromo-5-methyl-2-pyridinyl)-5-fluoropyridine-3-carboxamide
CID 75496322
N-(4-chloro-2-fluorophenyl)-4-(methylsulfanylmethyl)benzamide
CID 7774576
N-[4-(methylcarbamoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 46518330
N-(3-bromo-5-fluoro-2-pyridinyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 110495803
N-(4-hydroxyphenyl)-4-(methylsulfanylmethyl)benzamide
CID 51193769
N-(3,5-difluoro-2-pyridinyl)benzamide
CID 53404764
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(methylsulfanylmethyl)benzamide
CID 84558483
N-(6-methyl-2-pyridinyl)-4-(methylsulfanylmethyl)benzamide
CID 18107198
N-(3-bromo-5-chloro-2-pyridinyl)benzamide
CID 121012256
N-tert-butyl-3-[[4-(methylsulfanylmethyl)benzoyl]amino]benzamide
CID 87006555

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-fluoro-2-pyridinyl)-4-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-(3-bromo-5-fluoro-2-pyridinyl)-4-(methylsulfanylmethyl)benzamide (CID 110495864) is N-(3-bromo-5-fluoro-2-pyridinyl)-4-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(3-bromo-5-fluoro-2-pyridinyl)-4-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-(3-bromo-5-fluoro-2-pyridinyl)-4-(methylsulfanylmethyl)benzamide is CSCc1ccc(C(=O)Nc2ncc(F)cc2Br)cc1.
What is the InChIKey of N-(3-bromo-5-fluoro-2-pyridinyl)-4-(methylsulfanylmethyl)benzamide?
The InChIKey is PTYNRRNGHFVZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2OS/c1-20-8-9-2-4-10(5-3-9)14(19)18-13-12(15)6-11(16)7-17-13/h2-7H,8H2,1H3,(H,17,18,19).
What are the key properties of N-(3-bromo-5-fluoro-2-pyridinyl)-4-(methylsulfanylmethyl)benzamide?
N-(3-bromo-5-fluoro-2-pyridinyl)-4-(methylsulfanylmethyl)benzamide has a molecular weight of 355.23 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-fluoro-2-pyridinyl)-4-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 110495864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).