N-(2-fluoro-4-pyridin-3-ylphenyl)-3,4,5-trimethoxy-N-methylbenzamide

C22H21FN2O4 — CID 118708526

IUPACN-(2-fluoro-4-pyridin-3-ylphenyl)-3,4,5-trimethoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)c2ccc(-c3cccnc3)cc2F)cc(OC)c1OC
InChIInChI=1S/C22H21FN2O4/c1-25(18-8-7-14(10-17(18)23)15-6-5-9-24-13-15)22(26)16-11-19(27-2)21(29-4)20(12-16)28-3/h5-13H,1-4H3
InChIKeyBOSTUWJUUIFRJM-UHFFFAOYSA-N
MW396.42 g/mol
LogP4.19
Rot. Bonds6

About N-(2-fluoro-4-pyridin-3-ylphenyl)-3,4,5-trimethoxy-N-methylbenzamide

N-(2-fluoro-4-pyridin-3-ylphenyl)-3,4,5-trimethoxy-N-methylbenzamide (PubChem CID 118708526) has the molecular formula C22H21FN2O4 and a molecular weight of 396.42 g/mol. Its IUPAC name is N-(2-fluoro-4-pyridin-3-ylphenyl)-3,4,5-trimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-fluoro-4-pyridin-3-ylphenyl)-3,4,5-trimethoxy-N-methylbenzamide
PubChem CID118708526
Molecular FormulaC22H21FN2O4
Molecular Weight396.42 g/mol
Exact Mass396.15
IUPAC NameN-(2-fluoro-4-pyridin-3-ylphenyl)-3,4,5-trimethoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)c2ccc(-c3cccnc3)cc2F)cc(OC)c1OC
InChIInChI=1S/C22H21FN2O4/c1-25(18-8-7-14(10-17(18)23)15-6-5-9-24-13-15)22(26)16-11-19(27-2)21(29-4)20(12-16)28-3/h5-13H,1-4H3
InChIKeyBOSTUWJUUIFRJM-UHFFFAOYSA-N
XLogP4.19
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluoro-4-pyridin-3-ylphenyl)-3,4,5-trimethoxybenzamide
CID 102340685
3-(3,4,5-trimethoxyphenyl)pyridine
CID 141070241
4-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 59672655
methyl 2-fluoro-4-pyridin-3-ylbenzoate
CID 46317431
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-N-methylbenzamide
CID 1176039
N-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide
CID 108926572
N-[4-[acetyl(methyl)amino]phenyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 113094837
N-tert-butyl-N-methyl-5-pyridin-3-ylpyridine-2-carboxamide
CID 70935310
N-[(2-fluorophenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 4780408
3-(2,5-dimethoxy-4-pyridin-3-ylphenyl)pyridine
CID 156631933
3-(5-fluoro-2-methoxy-4-methylphenyl)pyridine
CID 158694980
3-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine
CID 46317327

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-pyridin-3-ylphenyl)-3,4,5-trimethoxy-N-methylbenzamide?
The IUPAC name of N-(2-fluoro-4-pyridin-3-ylphenyl)-3,4,5-trimethoxy-N-methylbenzamide (CID 118708526) is N-(2-fluoro-4-pyridin-3-ylphenyl)-3,4,5-trimethoxy-N-methylbenzamide.
What is the SMILES notation for N-(2-fluoro-4-pyridin-3-ylphenyl)-3,4,5-trimethoxy-N-methylbenzamide?
The canonical SMILES for N-(2-fluoro-4-pyridin-3-ylphenyl)-3,4,5-trimethoxy-N-methylbenzamide is COc1cc(C(=O)N(C)c2ccc(-c3cccnc3)cc2F)cc(OC)c1OC.
What is the InChIKey of N-(2-fluoro-4-pyridin-3-ylphenyl)-3,4,5-trimethoxy-N-methylbenzamide?
The InChIKey is BOSTUWJUUIFRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O4/c1-25(18-8-7-14(10-17(18)23)15-6-5-9-24-13-15)22(26)16-11-19(27-2)21(29-4)20(12-16)28-3/h5-13H,1-4H3.
What are the key properties of N-(2-fluoro-4-pyridin-3-ylphenyl)-3,4,5-trimethoxy-N-methylbenzamide?
N-(2-fluoro-4-pyridin-3-ylphenyl)-3,4,5-trimethoxy-N-methylbenzamide has a molecular weight of 396.42 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-pyridin-3-ylphenyl)-3,4,5-trimethoxy-N-methylbenzamide is sourced from PubChem (CID 118708526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).