N-[(5-bromo-2-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide

C15H12BrF3N2O3 — CID 154659672

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
SMILESCOc1ccc(Br)cc1CNC(=O)c1cnc(OC(F)F)c(F)c1
InChIInChI=1S/C15H12BrF3N2O3/c1-23-12-3-2-10(16)4-8(12)6-20-13(22)9-5-11(17)14(21-7-9)24-15(18)19/h2-5,7,15H,6H2,1H3,(H,20,22)
InChIKeyGPWSNVJGNVSBHO-UHFFFAOYSA-N
MW405.17 g/mol
LogP3.52
Rot. Bonds6

About N-[(5-bromo-2-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide

N-[(5-bromo-2-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide (PubChem CID 154659672) has the molecular formula C15H12BrF3N2O3 and a molecular weight of 405.17 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
PubChem CID154659672
Molecular FormulaC15H12BrF3N2O3
Molecular Weight405.17 g/mol
Exact Mass404.00
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
SMILESCOc1ccc(Br)cc1CNC(=O)c1cnc(OC(F)F)c(F)c1
InChIInChI=1S/C15H12BrF3N2O3/c1-23-12-3-2-10(16)4-8(12)6-20-13(22)9-5-11(17)14(21-7-9)24-15(18)19/h2-5,7,15H,6H2,1H3,(H,20,22)
InChIKeyGPWSNVJGNVSBHO-UHFFFAOYSA-N
XLogP3.52
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.17
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 60736763
6-(difluoromethoxy)-N-[(4-ethoxy-5-fluoro-3-pyridinyl)methyl]-5-fluoropyridine-3-carboxamide
CID 166012076
N-[(5-bromo-2-methoxyphenyl)methyl]benzamide
CID 49172987
6-(difluoromethoxy)-5-fluoro-N-[(3-methyl-2H-indazol-4-yl)methyl]pyridine-3-carboxamide
CID 137453534
N-[(3-cyano-5-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 162392014
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-pyridin-3-yloxybenzamide
CID 52834353
N-[[4-(3,3-difluorocyclobutyl)pyrimidin-5-yl]methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 166012116
methyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate
CID 110780679
N-[(5-cyano-2-methylphenyl)methyl]-5-fluoro-6-(1-fluoroethoxy)pyridine-3-carboxamide
CID 166863644
N-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazole-6-carboxamide
CID 46341642
6-(difluoromethoxy)-5-fluoro-N-[(5-methyltriazolo[1,5-b]pyridazin-3-yl)methyl]pyridine-3-carboxamide
CID 139532950
4-(difluoromethoxy)-3,5-difluoro-N-[(4-methoxypyrimidin-5-yl)methyl]benzamide
CID 166012158

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide (CID 154659672) is N-[(5-bromo-2-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide is COc1ccc(Br)cc1CNC(=O)c1cnc(OC(F)F)c(F)c1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide?
The InChIKey is GPWSNVJGNVSBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3N2O3/c1-23-12-3-2-10(16)4-8(12)6-20-13(22)9-5-11(17)14(21-7-9)24-15(18)19/h2-5,7,15H,6H2,1H3,(H,20,22).
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide?
N-[(5-bromo-2-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide has a molecular weight of 405.17 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 154659672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).