N-(3-fluorophenyl)-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide

C21H19FN2O3 — CID 110360716

IUPACN-(3-fluorophenyl)-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)N(Cc2cccnc2)c2cccc(F)c2)c1
InChIInChI=1S/C21H19FN2O3/c1-26-19-9-16(10-20(12-19)27-2)21(25)24(14-15-5-4-8-23-13-15)18-7-3-6-17(22)11-18/h3-13H,14H2,1-2H3
InChIKeyJYUHGUFXTBVOQO-UHFFFAOYSA-N
MW366.39 g/mol
LogP4.08
Rot. Bonds6

About N-(3-fluorophenyl)-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide

N-(3-fluorophenyl)-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 110360716) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide
PubChem CID110360716
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC NameN-(3-fluorophenyl)-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)N(Cc2cccnc2)c2cccc(F)c2)c1
InChIInChI=1S/C21H19FN2O3/c1-26-19-9-16(10-20(12-19)27-2)21(25)24(14-15-5-4-8-23-13-15)18-7-3-6-17(22)11-18/h3-13H,14H2,1-2H3
InChIKeyJYUHGUFXTBVOQO-UHFFFAOYSA-N
XLogP4.08
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethoxy-N-(3-methylphenyl)-N-(pyridin-3-ylmethyl)benzamide
CID 110360333
N-(4-fluorophenyl)-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 110360811
1,1-diethyl-3-(3-fluorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 110360744
3-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzamide
CID 110360522
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 110360509
3,5-dimethoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 6734292
3,5-dimethoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40995717
1,1-dimethyl-3-(3-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 110360355
N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 110360828
N-(4-fluorophenyl)-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 110360820
N-benzyl-3-fluoro-N-[3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide
CID 42859312
3,5-dimethoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 16939233

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of N-(3-fluorophenyl)-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide (CID 110360716) is N-(3-fluorophenyl)-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for N-(3-fluorophenyl)-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for N-(3-fluorophenyl)-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide is COc1cc(OC)cc(C(=O)N(Cc2cccnc2)c2cccc(F)c2)c1.
What is the InChIKey of N-(3-fluorophenyl)-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is JYUHGUFXTBVOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c1-26-19-9-16(10-20(12-19)27-2)21(25)24(14-15-5-4-8-23-13-15)18-7-3-6-17(22)11-18/h3-13H,14H2,1-2H3.
What are the key properties of N-(3-fluorophenyl)-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide?
N-(3-fluorophenyl)-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 366.39 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 110360716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).