4-(difluoromethoxy)-3,5-difluoro-N-[(4-methoxypyrimidin-5-yl)methyl]benzamide

C14H11F4N3O3 — CID 166012158

IUPAC4-(difluoromethoxy)-3,5-difluoro-N-[(4-methoxypyrimidin-5-yl)methyl]benzamide
SMILESCOc1ncncc1CNC(=O)c1cc(F)c(OC(F)F)c(F)c1
InChIInChI=1S/C14H11F4N3O3/c1-23-13-8(4-19-6-21-13)5-20-12(22)7-2-9(15)11(10(16)3-7)24-14(17)18/h2-4,6,14H,5H2,1H3,(H,20,22)
InChIKeyXUZXOOZLXRBBCD-UHFFFAOYSA-N
MW345.25 g/mol
LogP2.29
Rot. Bonds6

About 4-(difluoromethoxy)-3,5-difluoro-N-[(4-methoxypyrimidin-5-yl)methyl]benzamide

4-(difluoromethoxy)-3,5-difluoro-N-[(4-methoxypyrimidin-5-yl)methyl]benzamide (PubChem CID 166012158) has the molecular formula C14H11F4N3O3 and a molecular weight of 345.25 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3,5-difluoro-N-[(4-methoxypyrimidin-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3,5-difluoro-N-[(4-methoxypyrimidin-5-yl)methyl]benzamide
PubChem CID166012158
Molecular FormulaC14H11F4N3O3
Molecular Weight345.25 g/mol
Exact Mass345.07
IUPAC Name4-(difluoromethoxy)-3,5-difluoro-N-[(4-methoxypyrimidin-5-yl)methyl]benzamide
SMILESCOc1ncncc1CNC(=O)c1cc(F)c(OC(F)F)c(F)c1
InChIInChI=1S/C14H11F4N3O3/c1-23-13-8(4-19-6-21-13)5-20-12(22)7-2-9(15)11(10(16)3-7)24-14(17)18/h2-4,6,14H,5H2,1H3,(H,20,22)
InChIKeyXUZXOOZLXRBBCD-UHFFFAOYSA-N
XLogP2.29
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(difluoromethoxy)-N-[(4-ethoxy-5-fluoro-3-pyridinyl)methyl]-5-fluoropyridine-3-carboxamide
CID 166012076
N-[[4-(3,3-difluorocyclobutyl)pyrimidin-5-yl]methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 166012116
N-[(5-bromo-2-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 154659672
6-(difluoromethoxy)-5-fluoro-N-[(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 166012081
methyl 4-(difluoromethoxy)-3,5-difluorobenzoate
CID 134648316
N-(2-aminoethyl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride
CID 119385630
4-(difluoromethyl)-3,5-difluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 166012096
N-[(3-cyano-5-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 162392014
3,5-difluoro-4-methoxy-N-(pyrazolo[1,5-b]pyridazin-3-ylmethyl)benzamide
CID 139532981
6-(difluoromethoxy)-5-fluoro-N-[(3-methyl-2H-indazol-4-yl)methyl]pyridine-3-carboxamide
CID 137453534
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide
CID 34626354
3-(4-methoxypyrimidin-5-yl)propanoic acid
CID 82654769

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3,5-difluoro-N-[(4-methoxypyrimidin-5-yl)methyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-3,5-difluoro-N-[(4-methoxypyrimidin-5-yl)methyl]benzamide (CID 166012158) is 4-(difluoromethoxy)-3,5-difluoro-N-[(4-methoxypyrimidin-5-yl)methyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3,5-difluoro-N-[(4-methoxypyrimidin-5-yl)methyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-3,5-difluoro-N-[(4-methoxypyrimidin-5-yl)methyl]benzamide is COc1ncncc1CNC(=O)c1cc(F)c(OC(F)F)c(F)c1.
What is the InChIKey of 4-(difluoromethoxy)-3,5-difluoro-N-[(4-methoxypyrimidin-5-yl)methyl]benzamide?
The InChIKey is XUZXOOZLXRBBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4N3O3/c1-23-13-8(4-19-6-21-13)5-20-12(22)7-2-9(15)11(10(16)3-7)24-14(17)18/h2-4,6,14H,5H2,1H3,(H,20,22).
What are the key properties of 4-(difluoromethoxy)-3,5-difluoro-N-[(4-methoxypyrimidin-5-yl)methyl]benzamide?
4-(difluoromethoxy)-3,5-difluoro-N-[(4-methoxypyrimidin-5-yl)methyl]benzamide has a molecular weight of 345.25 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3,5-difluoro-N-[(4-methoxypyrimidin-5-yl)methyl]benzamide is sourced from PubChem (CID 166012158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).