3-(2-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide

C21H22FN3O — CID 91778192

IUPAC3-(2-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
SMILESCN(CCCc1nccn1C)C(=O)c1cccc(-c2ccccc2F)c1
InChIInChI=1S/C21H22FN3O/c1-24-14-12-23-20(24)11-6-13-25(2)21(26)17-8-5-7-16(15-17)18-9-3-4-10-19(18)22/h3-5,7-10,12,14-15H,6,11,13H2,1-2H3
InChIKeyBTSFVAOZLRWCBD-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.93
Rot. Bonds6

About 3-(2-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide

3-(2-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide (PubChem CID 91778192) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
PubChem CID91778192
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name3-(2-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
SMILESCN(CCCc1nccn1C)C(=O)c1cccc(-c2ccccc2F)c1
InChIInChI=1S/C21H22FN3O/c1-24-14-12-23-20(24)11-6-13-25(2)21(26)17-8-5-7-16(15-17)18-9-3-4-10-19(18)22/h3-5,7-10,12,14-15H,6,11,13H2,1-2H3
InChIKeyBTSFVAOZLRWCBD-UHFFFAOYSA-N
XLogP3.93
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide?
The IUPAC name of 3-(2-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide (CID 91778192) is 3-(2-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide is CN(CCCc1nccn1C)C(=O)c1cccc(-c2ccccc2F)c1.
What is the InChIKey of 3-(2-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide?
The InChIKey is BTSFVAOZLRWCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-24-14-12-23-20(24)11-6-13-25(2)21(26)17-8-5-7-16(15-17)18-9-3-4-10-19(18)22/h3-5,7-10,12,14-15H,6,11,13H2,1-2H3.
What are the key properties of 3-(2-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide?
3-(2-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide has a molecular weight of 351.43 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide is sourced from PubChem (CID 91778192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).