3-[(2-fluorophenyl)methylamino]-N,4-dimethylbenzamide

C16H17FN2O — CID 43432295

IUPAC3-[(2-fluorophenyl)methylamino]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(NCc2ccccc2F)c1
InChIInChI=1S/C16H17FN2O/c1-11-7-8-12(16(20)18-2)9-15(11)19-10-13-5-3-4-6-14(13)17/h3-9,19H,10H2,1-2H3,(H,18,20)
InChIKeyXZERSFDSZTYQHJ-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.11
Rot. Bonds4

About 3-[(2-fluorophenyl)methylamino]-N,4-dimethylbenzamide

3-[(2-fluorophenyl)methylamino]-N,4-dimethylbenzamide (PubChem CID 43432295) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methylamino]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methylamino]-N,4-dimethylbenzamide
PubChem CID43432295
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name3-[(2-fluorophenyl)methylamino]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(NCc2ccccc2F)c1
InChIInChI=1S/C16H17FN2O/c1-11-7-8-12(16(20)18-2)9-15(11)19-10-13-5-3-4-6-14(13)17/h3-9,19H,10H2,1-2H3,(H,18,20)
InChIKeyXZERSFDSZTYQHJ-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-[(5-bromo-2-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 43726850
3-[(2-cyanophenyl)methylamino]-N,4-dimethylbenzamide
CID 33008844
3-[(2-chloro-6-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 43432293
3-[(3-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 33008607
3-[(2-hydroxy-5-methylphenyl)methylamino]-N,4-dimethylbenzamide
CID 63324723
[3-[(2-fluorophenyl)methylamino]-4-methylphenyl]methanol
CID 83962362
4-[(2-bromophenyl)methylamino]-N,3-dimethylbenzamide
CID 43740131
4-methyl-3-[(2-methylphenyl)methylamino]benzoic acid
CID 17059873
3-[(2-hydroxyphenyl)methylamino]-4-methylbenzoic acid
CID 43727465
3-(2,2-dimethylpropylamino)-N,4-dimethylbenzamide
CID 61325560
3-[[2-(2-chlorophenyl)acetyl]amino]-N,4-dimethylbenzamide
CID 39132668
N,4-dimethyl-3-[(3-methylthiophen-2-yl)methylamino]benzamide
CID 43726884

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methylamino]-N,4-dimethylbenzamide?
The IUPAC name of 3-[(2-fluorophenyl)methylamino]-N,4-dimethylbenzamide (CID 43432295) is 3-[(2-fluorophenyl)methylamino]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methylamino]-N,4-dimethylbenzamide?
The canonical SMILES for 3-[(2-fluorophenyl)methylamino]-N,4-dimethylbenzamide is CNC(=O)c1ccc(C)c(NCc2ccccc2F)c1.
What is the InChIKey of 3-[(2-fluorophenyl)methylamino]-N,4-dimethylbenzamide?
The InChIKey is XZERSFDSZTYQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11-7-8-12(16(20)18-2)9-15(11)19-10-13-5-3-4-6-14(13)17/h3-9,19H,10H2,1-2H3,(H,18,20).
What are the key properties of 3-[(2-fluorophenyl)methylamino]-N,4-dimethylbenzamide?
3-[(2-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-[(2-fluorophenyl)methylamino]-N,4-dimethylbenzamide is sourced from PubChem (CID 43432295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).