3-(dimethylamino)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide

C17H19FN2O — CID 78781530

IUPAC3-(dimethylamino)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1cccc(F)c1)C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C17H19FN2O/c1-19(2)16-9-5-7-14(11-16)17(21)20(3)12-13-6-4-8-15(18)10-13/h4-11H,12H2,1-3H3
InChIKeyZCOPVEGUBWJPCD-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.16
Rot. Bonds4

About 3-(dimethylamino)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide

3-(dimethylamino)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide (PubChem CID 78781530) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
PubChem CID78781530
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name3-(dimethylamino)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1cccc(F)c1)C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C17H19FN2O/c1-19(2)16-9-5-7-14(11-16)17(21)20(3)12-13-6-4-8-15(18)10-13/h4-11H,12H2,1-3H3
InChIKeyZCOPVEGUBWJPCD-UHFFFAOYSA-N
XLogP3.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
N-[(3-fluorophenyl)methyl]-3,5-dihydroxy-N-methylbenzamide
CID 103891567
N-[(3-fluorophenyl)methyl]-N-methylnaphthalene-2-carboxamide
CID 26292158
N-[(4-chlorophenyl)methyl]-3-(dimethylamino)-N-methylbenzamide
CID 78768490
N-[(3-fluorophenyl)methyl]-N-methyl-1-oxidopyridin-1-ium-4-carboxamide
CID 78781868
3-amino-4-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 28801952
3-bromo-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzamide
CID 104851856
N-(1,3-benzodioxol-5-ylmethyl)-3-fluoro-N-methylbenzamide
CID 18116210
4-ethoxy-N-[(3-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 86937954
4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 115745141
N-[(3-fluorophenyl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 27827308
N-[(3-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18113904

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 3-(dimethylamino)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide (CID 78781530) is 3-(dimethylamino)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-(dimethylamino)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide is CN(Cc1cccc(F)c1)C(=O)c1cccc(N(C)C)c1.
What is the InChIKey of 3-(dimethylamino)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide?
The InChIKey is ZCOPVEGUBWJPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-19(2)16-9-5-7-14(11-16)17(21)20(3)12-13-6-4-8-15(18)10-13/h4-11H,12H2,1-3H3.
What are the key properties of 3-(dimethylamino)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide?
3-(dimethylamino)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide has a molecular weight of 286.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 78781530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).