3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide

C17H16F2N2O2 — CID 30905036

IUPAC3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
SMILESCN(Cc1ccccc1F)C(=O)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C17H16F2N2O2/c1-21(11-13-5-2-3-8-15(13)19)16(22)10-20-17(23)12-6-4-7-14(18)9-12/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyOHHADPFCJGYNLX-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.35
Rot. Bonds5

About 3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide

3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide (PubChem CID 30905036) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is 3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
PubChem CID30905036
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
SMILESCN(Cc1ccccc1F)C(=O)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C17H16F2N2O2/c1-21(11-13-5-2-3-8-15(13)19)16(22)10-20-17(23)12-6-4-7-14(18)9-12/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyOHHADPFCJGYNLX-UHFFFAOYSA-N
XLogP2.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78852071
2,4-difluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 51192378
N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 31138692
3-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]benzamide
CID 79380984
3-fluoro-N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]benzamide
CID 107202420
3-fluoro-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide
CID 78783855
3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066895
3-fluoro-N-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-2-oxoethyl]benzamide
CID 78839008
N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 4787297
3,5-difluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78769060
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 31215861
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-3-chlorobenzamide
CID 31215623

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide (CID 30905036) is 3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide is CN(Cc1ccccc1F)C(=O)CNC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide?
The InChIKey is OHHADPFCJGYNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c1-21(11-13-5-2-3-8-15(13)19)16(22)10-20-17(23)12-6-4-7-14(18)9-12/h2-9H,10-11H2,1H3,(H,20,23).
What are the key properties of 3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide?
3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide has a molecular weight of 318.32 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 30905036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).