N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-fluoro-N-methylpyridine-2-carboxamide

C16H15F3N2O3 — CID 84600803

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-fluoro-N-methylpyridine-2-carboxamide
SMILESCOc1cc(CN(C)C(=O)c2ccc(F)cn2)ccc1OC(F)F
InChIInChI=1S/C16H15F3N2O3/c1-21(15(22)12-5-4-11(17)8-20-12)9-10-3-6-13(24-16(18)19)14(7-10)23-2/h3-8,16H,9H2,1-2H3
InChIKeyBUUFYUPIKJCJSI-UHFFFAOYSA-N
MW340.30 g/mol
LogP3.10
Rot. Bonds6

About N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-fluoro-N-methylpyridine-2-carboxamide

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-fluoro-N-methylpyridine-2-carboxamide (PubChem CID 84600803) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-fluoro-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-fluoro-N-methylpyridine-2-carboxamide
PubChem CID84600803
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-fluoro-N-methylpyridine-2-carboxamide
SMILESCOc1cc(CN(C)C(=O)c2ccc(F)cn2)ccc1OC(F)F
InChIInChI=1S/C16H15F3N2O3/c1-21(15(22)12-5-4-11(17)8-20-12)9-10-3-6-13(24-16(18)19)14(7-10)23-2/h3-8,16H,9H2,1-2H3
InChIKeyBUUFYUPIKJCJSI-UHFFFAOYSA-N
XLogP3.10
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-hydroxy-N-methylbenzamide
CID 31153420
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 27781154
N-[(4-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide
CID 55328783
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]propanoic acid
CID 60648152
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide
CID 55380693
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-5-fluoro-N,2-dimethylbenzamide
CID 55612338
6-chloro-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,2-dimethylquinoline-3-carboxamide
CID 43036888
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methylacetamide
CID 55578791
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide
CID 18153483
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,4-dimethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55818369
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide
CID 78770386
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-2-oxoethyl]-2-methylbutanamide
CID 55930131

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-fluoro-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-fluoro-N-methylpyridine-2-carboxamide (CID 84600803) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-fluoro-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-fluoro-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-fluoro-N-methylpyridine-2-carboxamide is COc1cc(CN(C)C(=O)c2ccc(F)cn2)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-fluoro-N-methylpyridine-2-carboxamide?
The InChIKey is BUUFYUPIKJCJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c1-21(15(22)12-5-4-11(17)8-20-12)9-10-3-6-13(24-16(18)19)14(7-10)23-2/h3-8,16H,9H2,1-2H3.
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-fluoro-N-methylpyridine-2-carboxamide?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-fluoro-N-methylpyridine-2-carboxamide has a molecular weight of 340.30 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-fluoro-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 84600803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).