N-(5-bromo-4-methyl-2-pyridinyl)-3-(difluoromethoxy)benzamide

C14H11BrF2N2O2 — CID 79736322

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-3-(difluoromethoxy)benzamide
SMILESCc1cc(NC(=O)c2cccc(OC(F)F)c2)ncc1Br
InChIInChI=1S/C14H11BrF2N2O2/c1-8-5-12(18-7-11(8)15)19-13(20)9-3-2-4-10(6-9)21-14(16)17/h2-7,14H,1H3,(H,18,19,20)
InChIKeyNVHZDFZHWCAOJH-UHFFFAOYSA-N
MW357.15 g/mol
LogP4.01
Rot. Bonds4

About N-(5-bromo-4-methyl-2-pyridinyl)-3-(difluoromethoxy)benzamide

N-(5-bromo-4-methyl-2-pyridinyl)-3-(difluoromethoxy)benzamide (PubChem CID 79736322) has the molecular formula C14H11BrF2N2O2 and a molecular weight of 357.15 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-3-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-3-(difluoromethoxy)benzamide
PubChem CID79736322
Molecular FormulaC14H11BrF2N2O2
Molecular Weight357.15 g/mol
Exact Mass356.00
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-3-(difluoromethoxy)benzamide
SMILESCc1cc(NC(=O)c2cccc(OC(F)F)c2)ncc1Br
InChIInChI=1S/C14H11BrF2N2O2/c1-8-5-12(18-7-11(8)15)19-13(20)9-3-2-4-10(6-9)21-14(16)17/h2-7,14H,1H3,(H,18,19,20)
InChIKeyNVHZDFZHWCAOJH-UHFFFAOYSA-N
XLogP4.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.15
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-4-methyl-2-pyridinyl)-4-fluoro-3-methylbenzamide
CID 79733912
3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylbenzamide
CID 81472094
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
CID 79733791
3-(difluoromethoxy)-N-(3-methyl-2-pyridinyl)benzamide
CID 35032050
N-(5-amino-3-methyl-2-pyridinyl)-3-(difluoromethoxy)benzamide
CID 115910671
3-[[3-(difluoromethoxy)benzoyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64526280
3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybenzamide
CID 79729860
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloro-3-methylbenzamide
CID 113397189
4-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-chlorobenzamide
CID 81294858
3-(difluoromethoxy)-N-(6-fluoro-2-pyridinyl)benzamide
CID 104820521
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-fluorobenzamide
CID 79734700
N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-5-methylbenzamide
CID 81323954

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-3-(difluoromethoxy)benzamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-3-(difluoromethoxy)benzamide (CID 79736322) is N-(5-bromo-4-methyl-2-pyridinyl)-3-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-3-(difluoromethoxy)benzamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-3-(difluoromethoxy)benzamide is Cc1cc(NC(=O)c2cccc(OC(F)F)c2)ncc1Br.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-3-(difluoromethoxy)benzamide?
The InChIKey is NVHZDFZHWCAOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O2/c1-8-5-12(18-7-11(8)15)19-13(20)9-3-2-4-10(6-9)21-14(16)17/h2-7,14H,1H3,(H,18,19,20).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-3-(difluoromethoxy)benzamide?
N-(5-bromo-4-methyl-2-pyridinyl)-3-(difluoromethoxy)benzamide has a molecular weight of 357.15 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-3-(difluoromethoxy)benzamide is sourced from PubChem (CID 79736322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).