2,6-difluoro-N-[3-(methylaminomethyl)phenyl]benzamide

C15H14F2N2O — CID 43601976

IUPAC2,6-difluoro-N-[3-(methylaminomethyl)phenyl]benzamide
SMILESCNCc1cccc(NC(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C15H14F2N2O/c1-18-9-10-4-2-5-11(8-10)19-15(20)14-12(16)6-3-7-13(14)17/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyKTHMZVUPTBWRQJ-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.94
Rot. Bonds4

About 2,6-difluoro-N-[3-(methylaminomethyl)phenyl]benzamide

2,6-difluoro-N-[3-(methylaminomethyl)phenyl]benzamide (PubChem CID 43601976) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is 2,6-difluoro-N-[3-(methylaminomethyl)phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[3-(methylaminomethyl)phenyl]benzamide
PubChem CID43601976
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2,6-difluoro-N-[3-(methylaminomethyl)phenyl]benzamide
SMILESCNCc1cccc(NC(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C15H14F2N2O/c1-18-9-10-4-2-5-11(8-10)19-15(20)14-12(16)6-3-7-13(14)17/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyKTHMZVUPTBWRQJ-UHFFFAOYSA-N
XLogP2.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,5-trifluoro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 63186754
1-(2-fluorophenyl)-3-[3-(methylaminomethyl)phenyl]urea
CID 43602491
5-fluoro-N-[3-(methylaminomethyl)phenyl]pyridine-3-carboxamide
CID 115736760
5-fluoro-2-hydroxy-N-[3-(methylaminomethyl)phenyl]benzamide
CID 115299348
2-bromo-N-(3-ethylphenyl)-6-fluorobenzamide
CID 113250708
4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601942
2-(2,5-difluorophenyl)-N-[3-(methylaminomethyl)phenyl]acetamide
CID 84589209
2-fluoro-6-hydroxy-N-[3-(methoxymethyl)phenyl]benzamide
CID 104916789
2,4,6-trifluoro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 65100821
3-hydroxy-2-methyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 82830003
N-[3-(bromomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 114307297
2,3-dichloro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601974

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[3-(methylaminomethyl)phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[3-(methylaminomethyl)phenyl]benzamide (CID 43601976) is 2,6-difluoro-N-[3-(methylaminomethyl)phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[3-(methylaminomethyl)phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[3-(methylaminomethyl)phenyl]benzamide is CNCc1cccc(NC(=O)c2c(F)cccc2F)c1.
What is the InChIKey of 2,6-difluoro-N-[3-(methylaminomethyl)phenyl]benzamide?
The InChIKey is KTHMZVUPTBWRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-18-9-10-4-2-5-11(8-10)19-15(20)14-12(16)6-3-7-13(14)17/h2-8,18H,9H2,1H3,(H,19,20).
What are the key properties of 2,6-difluoro-N-[3-(methylaminomethyl)phenyl]benzamide?
2,6-difluoro-N-[3-(methylaminomethyl)phenyl]benzamide has a molecular weight of 276.29 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[3-(methylaminomethyl)phenyl]benzamide is sourced from PubChem (CID 43601976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).