3-[[1-(2,6-difluorophenyl)ethylamino]methyl]benzamide

C16H16F2N2O — CID 43664738

IUPAC3-[[1-(2,6-difluorophenyl)ethylamino]methyl]benzamide
SMILESCC(NCc1cccc(C(N)=O)c1)c1c(F)cccc1F
InChIInChI=1S/C16H16F2N2O/c1-10(15-13(17)6-3-7-14(15)18)20-9-11-4-2-5-12(8-11)16(19)21/h2-8,10,20H,9H2,1H3,(H2,19,21)
InChIKeyACPFBICXQDKYDZ-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.91
Rot. Bonds5

About 3-[[1-(2,6-difluorophenyl)ethylamino]methyl]benzamide

3-[[1-(2,6-difluorophenyl)ethylamino]methyl]benzamide (PubChem CID 43664738) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 3-[[1-(2,6-difluorophenyl)ethylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[1-(2,6-difluorophenyl)ethylamino]methyl]benzamide
PubChem CID43664738
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name3-[[1-(2,6-difluorophenyl)ethylamino]methyl]benzamide
SMILESCC(NCc1cccc(C(N)=O)c1)c1c(F)cccc1F
InChIInChI=1S/C16H16F2N2O/c1-10(15-13(17)6-3-7-14(15)18)20-9-11-4-2-5-12(8-11)16(19)21/h2-8,10,20H,9H2,1H3,(H2,19,21)
InChIKeyACPFBICXQDKYDZ-UHFFFAOYSA-N
XLogP2.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[1-(2,6-difluorophenyl)ethylamino]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[[(1S)-1-phenylethyl]amino]methyl]benzamide
CID 28564891
1-(2,6-difluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43123250
3-[[1-(4-methylsulfanylphenyl)ethylamino]methyl]benzamide
CID 43664717
3-[[1-(3-methylphenyl)ethylamino]methyl]benzamide
CID 43778803
3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]benzamide
CID 43664678
3-[[1-(2,4-dimethylphenyl)ethylamino]methyl]benzamide
CID 43664706
3-[[1-(2-methoxyphenyl)ethylamino]methyl]benzamide
CID 43664720
3-[[1-(2H-tetrazol-5-yl)ethylamino]methyl]benzamide
CID 55172421
3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide
CID 43664726
ethyl 2-[(3-carbamoylphenyl)methylamino]propanoate
CID 61498569
3-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
CID 61476831
3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]benzamide
CID 61479913

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,6-difluorophenyl)ethylamino]methyl]benzamide?
The IUPAC name of 3-[[1-(2,6-difluorophenyl)ethylamino]methyl]benzamide (CID 43664738) is 3-[[1-(2,6-difluorophenyl)ethylamino]methyl]benzamide.
What is the SMILES notation for 3-[[1-(2,6-difluorophenyl)ethylamino]methyl]benzamide?
The canonical SMILES for 3-[[1-(2,6-difluorophenyl)ethylamino]methyl]benzamide is CC(NCc1cccc(C(N)=O)c1)c1c(F)cccc1F.
What is the InChIKey of 3-[[1-(2,6-difluorophenyl)ethylamino]methyl]benzamide?
The InChIKey is ACPFBICXQDKYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-10(15-13(17)6-3-7-14(15)18)20-9-11-4-2-5-12(8-11)16(19)21/h2-8,10,20H,9H2,1H3,(H2,19,21).
What are the key properties of 3-[[1-(2,6-difluorophenyl)ethylamino]methyl]benzamide?
3-[[1-(2,6-difluorophenyl)ethylamino]methyl]benzamide has a molecular weight of 290.31 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2,6-difluorophenyl)ethylamino]methyl]benzamide is sourced from PubChem (CID 43664738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).