2,6-difluoro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide

C19H20F2N2O — CID 86909479

IUPAC2,6-difluoro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)c1c(F)cccc1F
InChIInChI=1S/C19H20F2N2O/c1-22(19(24)18-15(20)8-6-9-16(18)21)13-14-7-2-3-10-17(14)23-11-4-5-12-23/h2-3,6-10H,4-5,11-13H2,1H3
InChIKeyNMGWGGJUACREGE-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.84
Rot. Bonds4

About 2,6-difluoro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide

2,6-difluoro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide (PubChem CID 86909479) has the molecular formula C19H20F2N2O and a molecular weight of 330.38 g/mol. Its IUPAC name is 2,6-difluoro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
PubChem CID86909479
Molecular FormulaC19H20F2N2O
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name2,6-difluoro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)c1c(F)cccc1F
InChIInChI=1S/C19H20F2N2O/c1-22(19(24)18-15(20)8-6-9-16(18)21)13-14-7-2-3-10-17(14)23-11-4-5-12-23/h2-3,6-10H,4-5,11-13H2,1H3
InChIKeyNMGWGGJUACREGE-UHFFFAOYSA-N
XLogP3.84
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazole-4-carboxamide
CID 134026351
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrimidine-5-carboxamide
CID 75484966
cis-(1S,2R)-2-(2-fluorophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclopropane-1-carboxamide
CID 52544642
1-(2-fluorophenyl)-N,6-dimethyl-4-oxo-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide
CID 24551624
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 126786340
N,3,4-trimethyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
CID 22109708
3-(dimethylsulfamoyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 43017886
1-hydroxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 110907044
N,2,4,5-tetramethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 52671490
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indazole-7-carboxamide
CID 55822528
3,5-dichloro-4-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55415889
4-(azepan-1-ylsulfonyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 31645452

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
The IUPAC name of 2,6-difluoro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide (CID 86909479) is 2,6-difluoro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide is CN(Cc1ccccc1N1CCCC1)C(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
The InChIKey is NMGWGGJUACREGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O/c1-22(19(24)18-15(20)8-6-9-16(18)21)13-14-7-2-3-10-17(14)23-11-4-5-12-23/h2-3,6-10H,4-5,11-13H2,1H3.
What are the key properties of 2,6-difluoro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
2,6-difluoro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide has a molecular weight of 330.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 86909479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).