N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(pyridin-3-ylmethoxy)benzamide

C22H21FN2O2 — CID 55772817

IUPACN-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(pyridin-3-ylmethoxy)benzamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C22H21FN2O2/c1-16(18-8-10-20(23)11-9-18)25(2)22(26)19-6-3-7-21(13-19)27-15-17-5-4-12-24-14-17/h3-14,16H,15H2,1-2H3
InChIKeyOOTQKUSEAQFKOS-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.63
Rot. Bonds6

About N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(pyridin-3-ylmethoxy)benzamide

N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(pyridin-3-ylmethoxy)benzamide (PubChem CID 55772817) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(pyridin-3-ylmethoxy)benzamide
PubChem CID55772817
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(pyridin-3-ylmethoxy)benzamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C22H21FN2O2/c1-16(18-8-10-20(23)11-9-18)25(2)22(26)19-6-3-7-21(13-19)27-15-17-5-4-12-24-14-17/h3-14,16H,15H2,1-2H3
InChIKeyOOTQKUSEAQFKOS-UHFFFAOYSA-N
XLogP4.63
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55770583
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 42248306
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
N-methyl-4-(pyridin-3-ylmethoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 46587409
N-(4-fluorophenyl)-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 110360811
N-methyl-3-(pyridin-3-ylmethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 55775742
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-(pyridin-3-ylmethoxy)benzamide
CID 55976835
N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide
CID 146154896
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-(1-phenylethyl)benzamide
CID 51188159
N-(2-hydroxy-2,3-dimethylbutyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 111483720
3-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61043700
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55776871

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(pyridin-3-ylmethoxy)benzamide (CID 55772817) is N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(pyridin-3-ylmethoxy)benzamide is CC(c1ccc(F)cc1)N(C)C(=O)c1cccc(OCc2cccnc2)c1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is OOTQKUSEAQFKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c1-16(18-8-10-20(23)11-9-18)25(2)22(26)19-6-3-7-21(13-19)27-15-17-5-4-12-24-14-17/h3-14,16H,15H2,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(pyridin-3-ylmethoxy)benzamide?
N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 364.42 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 55772817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).