3-[(3-fluorophenyl)methylamino]-N,4-dimethylbenzamide

C16H17FN2O — CID 33008607

IUPAC3-[(3-fluorophenyl)methylamino]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(NCc2cccc(F)c2)c1
InChIInChI=1S/C16H17FN2O/c1-11-6-7-13(16(20)18-2)9-15(11)19-10-12-4-3-5-14(17)8-12/h3-9,19H,10H2,1-2H3,(H,18,20)
InChIKeyAUCARVMMIGPVFP-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.11
Rot. Bonds4

About 3-[(3-fluorophenyl)methylamino]-N,4-dimethylbenzamide

3-[(3-fluorophenyl)methylamino]-N,4-dimethylbenzamide (PubChem CID 33008607) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methylamino]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methylamino]-N,4-dimethylbenzamide
PubChem CID33008607
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name3-[(3-fluorophenyl)methylamino]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(NCc2cccc(F)c2)c1
InChIInChI=1S/C16H17FN2O/c1-11-6-7-13(16(20)18-2)9-15(11)19-10-12-4-3-5-14(17)8-12/h3-9,19H,10H2,1-2H3,(H,18,20)
InChIKeyAUCARVMMIGPVFP-UHFFFAOYSA-N
XLogP3.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-cyanophenyl)methylamino]-N,4-dimethylbenzamide
CID 43726891
3-[(2-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 43432295
3-[(2-chloro-6-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 43432293
N,4-dimethyl-3-(thiophen-3-ylmethylamino)benzamide
CID 43726886
4-chloro-3-[(3-fluoro-4-methylphenyl)methylamino]-N-methylbenzamide
CID 63646037
3-[(5-bromo-2-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 43726850
3-(2,2-dimethylpropylamino)-N,4-dimethylbenzamide
CID 61325560
4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
CID 28970018
N,4-dimethyl-3-[(3-methylthiophen-2-yl)methylamino]benzamide
CID 43726884
4-amino-3-[(3-bromophenyl)methylamino]-N-methylbenzamide
CID 63357345
3-[(2-cyanophenyl)methylamino]-N,4-dimethylbenzamide
CID 33008844
3-(butylamino)-N,4-dimethylbenzamide
CID 43726955

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methylamino]-N,4-dimethylbenzamide?
The IUPAC name of 3-[(3-fluorophenyl)methylamino]-N,4-dimethylbenzamide (CID 33008607) is 3-[(3-fluorophenyl)methylamino]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-[(3-fluorophenyl)methylamino]-N,4-dimethylbenzamide?
The canonical SMILES for 3-[(3-fluorophenyl)methylamino]-N,4-dimethylbenzamide is CNC(=O)c1ccc(C)c(NCc2cccc(F)c2)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methylamino]-N,4-dimethylbenzamide?
The InChIKey is AUCARVMMIGPVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11-6-7-13(16(20)18-2)9-15(11)19-10-12-4-3-5-14(17)8-12/h3-9,19H,10H2,1-2H3,(H,18,20).
What are the key properties of 3-[(3-fluorophenyl)methylamino]-N,4-dimethylbenzamide?
3-[(3-fluorophenyl)methylamino]-N,4-dimethylbenzamide has a molecular weight of 272.32 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methylamino]-N,4-dimethylbenzamide is sourced from PubChem (CID 33008607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).