N-[2-(2-fluorophenyl)ethyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide

C22H21FN2O2 — CID 110426924

IUPACN-[2-(2-fluorophenyl)ethyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1cccc(C(=O)N(CCc2ccccc2F)Cc2cccnc2)c1
InChIInChI=1S/C22H21FN2O2/c1-27-20-9-4-8-19(14-20)22(26)25(16-17-6-5-12-24-15-17)13-11-18-7-2-3-10-21(18)23/h2-10,12,14-15H,11,13,16H2,1H3
InChIKeyZOZOJJYCUIODAX-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.11
Rot. Bonds7

About N-[2-(2-fluorophenyl)ethyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide

N-[2-(2-fluorophenyl)ethyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 110426924) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
PubChem CID110426924
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1cccc(C(=O)N(CCc2ccccc2F)Cc2cccnc2)c1
InChIInChI=1S/C22H21FN2O2/c1-27-20-9-4-8-19(14-20)22(26)25(16-17-6-5-12-24-15-17)13-11-18-7-2-3-10-21(18)23/h2-10,12,14-15H,11,13,16H2,1H3
InChIKeyZOZOJJYCUIODAX-UHFFFAOYSA-N
XLogP4.11
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 110426899
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 42248306
N-[(2,4-dichlorophenyl)methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 168853797
N-(4-fluorophenyl)-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 110360811
1-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea
CID 3252075
3-(3-methoxyphenyl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)propanamide
CID 60558316
N-[2-(2-fluorophenyl)ethyl]-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 110426908
1-(3-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 60650680
3-(2-amino-2-oxoethoxy)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)benzamide
CID 86824225
N-[(3,5-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 168853803
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 42709415
N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 78800954

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide (CID 110426924) is N-[2-(2-fluorophenyl)ethyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide is COc1cccc(C(=O)N(CCc2ccccc2F)Cc2cccnc2)c1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is ZOZOJJYCUIODAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c1-27-20-9-4-8-19(14-20)22(26)25(16-17-6-5-12-24-15-17)13-11-18-7-2-3-10-21(18)23/h2-10,12,14-15H,11,13,16H2,1H3.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide?
N-[2-(2-fluorophenyl)ethyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 364.42 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 110426924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).