4-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide

C21H19FN2O — CID 121084436

IUPAC4-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(c1ccc(F)cc1)N(CCc1ccccc1)Cc1ccccn1
InChIInChI=1S/C21H19FN2O/c22-19-11-9-18(10-12-19)21(25)24(16-20-8-4-5-14-23-20)15-13-17-6-2-1-3-7-17/h1-12,14H,13,15-16H2
InChIKeyLVMCEROYLDIGTG-UHFFFAOYSA-N
MW334.39 g/mol
LogP4.11
Rot. Bonds6

About 4-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide

4-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 121084436) has the molecular formula C21H19FN2O and a molecular weight of 334.39 g/mol. Its IUPAC name is 4-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide
PubChem CID121084436
Molecular FormulaC21H19FN2O
Molecular Weight334.39 g/mol
Exact Mass334.15
IUPAC Name4-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(c1ccc(F)cc1)N(CCc1ccccc1)Cc1ccccn1
InChIInChI=1S/C21H19FN2O/c22-19-11-9-18(10-12-19)21(25)24(16-20-8-4-5-14-23-20)15-13-17-6-2-1-3-7-17/h1-12,14H,13,15-16H2
InChIKeyLVMCEROYLDIGTG-UHFFFAOYSA-N
XLogP4.11
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-nitro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084464
2-ethoxy-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084459
4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;oxalic acid
CID 90483378
N-benzyl-6-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide
CID 113234599
1-(4-fluorophenyl)-5-oxo-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 52992577
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 61242674
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 42165859
4-fluoro-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 108755912
3-methylsulfonyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 131892392
N-[(4-fluorophenyl)methyl]-2-(methylamino)-N-(2-pyridin-2-ylethyl)acetamide
CID 119875097
1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 121084597
N-benzyl-2,4-dioxo-N-(2-phenylethyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026531

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide (CID 121084436) is 4-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide is O=C(c1ccc(F)cc1)N(CCc1ccccc1)Cc1ccccn1.
What is the InChIKey of 4-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is LVMCEROYLDIGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O/c22-19-11-9-18(10-12-19)21(25)24(16-20-8-4-5-14-23-20)15-13-17-6-2-1-3-7-17/h1-12,14H,13,15-16H2.
What are the key properties of 4-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide?
4-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 334.39 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 121084436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).