3-(difluoromethoxy)-N-(3-methyl-2-pyridinyl)benzamide

C14H12F2N2O2 — CID 35032050

IUPAC3-(difluoromethoxy)-N-(3-methyl-2-pyridinyl)benzamide
SMILESCc1cccnc1NC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H12F2N2O2/c1-9-4-3-7-17-12(9)18-13(19)10-5-2-6-11(8-10)20-14(15)16/h2-8,14H,1H3,(H,17,18,19)
InChIKeyHLGIILKSOTXAAG-UHFFFAOYSA-N
MW278.26 g/mol
LogP3.24
Rot. Bonds4

About 3-(difluoromethoxy)-N-(3-methyl-2-pyridinyl)benzamide

3-(difluoromethoxy)-N-(3-methyl-2-pyridinyl)benzamide (PubChem CID 35032050) has the molecular formula C14H12F2N2O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(3-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(3-methyl-2-pyridinyl)benzamide
PubChem CID35032050
Molecular FormulaC14H12F2N2O2
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name3-(difluoromethoxy)-N-(3-methyl-2-pyridinyl)benzamide
SMILESCc1cccnc1NC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H12F2N2O2/c1-9-4-3-7-17-12(9)18-13(19)10-5-2-6-11(8-10)20-14(15)16/h2-8,14H,1H3,(H,17,18,19)
InChIKeyHLGIILKSOTXAAG-UHFFFAOYSA-N
XLogP3.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-3-methyl-2-pyridinyl)-3-(difluoromethoxy)benzamide
CID 115910671
N-(5-bromo-4-methyl-2-pyridinyl)-3-(difluoromethoxy)benzamide
CID 79736322
3-(difluoromethoxy)-N-(4-fluoro-2-methylphenyl)benzamide
CID 844019
N-(4-acetamidophenyl)-3-(difluoromethoxy)benzamide
CID 2583008
N-(4-amino-2-methylphenyl)-3-(difluoromethoxy)benzamide
CID 28973900
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
N-(5-acetamido-2-methylphenyl)-3-(difluoromethoxy)benzamide
CID 46454255
3-(difluoromethoxy)-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 7925214
3-(difluoromethoxy)-N-(6-fluoro-3-pyridinyl)benzamide
CID 103789754
3-(difluoromethoxy)-N-(6-fluoro-2-pyridinyl)benzamide
CID 104820521
N-(3-methyl-2-pyridinyl)-3-(phenylsulfanylamino)benzamide
CID 170977094
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methyl-2-pyridinyl)benzamide
CID 46651539

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(3-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-(3-methyl-2-pyridinyl)benzamide (CID 35032050) is 3-(difluoromethoxy)-N-(3-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-(3-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-(3-methyl-2-pyridinyl)benzamide is Cc1cccnc1NC(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-(3-methyl-2-pyridinyl)benzamide?
The InChIKey is HLGIILKSOTXAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2/c1-9-4-3-7-17-12(9)18-13(19)10-5-2-6-11(8-10)20-14(15)16/h2-8,14H,1H3,(H,17,18,19).
What are the key properties of 3-(difluoromethoxy)-N-(3-methyl-2-pyridinyl)benzamide?
3-(difluoromethoxy)-N-(3-methyl-2-pyridinyl)benzamide has a molecular weight of 278.26 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(3-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 35032050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).