(2S)-2-[benzyl(methyl)amino]-N-(2,6-difluorophenyl)propanamide

C17H18F2N2O — CID 9274676

IUPAC(2S)-2-[benzyl(methyl)amino]-N-(2,6-difluorophenyl)propanamide
SMILESC[C@@H](C(=O)Nc1c(F)cccc1F)N(C)Cc1ccccc1
InChIInChI=1S/C17H18F2N2O/c1-12(21(2)11-13-7-4-3-5-8-13)17(22)20-16-14(18)9-6-10-15(16)19/h3-10,12H,11H2,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeyGPIFLXPEALPMIF-LBPRGKRZSA-N
MW304.34 g/mol
LogP3.42
Rot. Bonds5

About (2S)-2-[benzyl(methyl)amino]-N-(2,6-difluorophenyl)propanamide

(2S)-2-[benzyl(methyl)amino]-N-(2,6-difluorophenyl)propanamide (PubChem CID 9274676) has the molecular formula C17H18F2N2O and a molecular weight of 304.34 g/mol. Its IUPAC name is (2S)-2-[benzyl(methyl)amino]-N-(2,6-difluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[benzyl(methyl)amino]-N-(2,6-difluorophenyl)propanamide
PubChem CID9274676
Molecular FormulaC17H18F2N2O
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC Name(2S)-2-[benzyl(methyl)amino]-N-(2,6-difluorophenyl)propanamide
SMILESC[C@@H](C(=O)Nc1c(F)cccc1F)N(C)Cc1ccccc1
InChIInChI=1S/C17H18F2N2O/c1-12(21(2)11-13-7-4-3-5-8-13)17(22)20-16-14(18)9-6-10-15(16)19/h3-10,12H,11H2,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeyGPIFLXPEALPMIF-LBPRGKRZSA-N
XLogP3.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[benzyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide
CID 9274686
(2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-phenylpropanamide
CID 8516170
(2R)-2-[(4-bromophenyl)methyl-methylamino]-N-(2-fluorophenyl)propanamide
CID 8009004
N-(2-fluorophenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide
CID 46801756
N-[2-(aminomethyl)phenyl]-2-[benzyl(methyl)amino]propanamide
CID 18070950
(2R)-2-[2-[benzyl(methyl)amino]propanoylamino]propanoic acid
CID 119369701
(2R)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517819
(2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517815
2-[benzyl(methyl)amino]-N-(2-methoxyphenyl)propanamide
CID 42911817
2-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 17405256
2-[benzyl(methyl)amino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 51178917
N-benzyl-N'-(2,6-difluorophenyl)-N,2,2-trimethylpropanediamide
CID 108962378

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[benzyl(methyl)amino]-N-(2,6-difluorophenyl)propanamide?
The IUPAC name of (2S)-2-[benzyl(methyl)amino]-N-(2,6-difluorophenyl)propanamide (CID 9274676) is (2S)-2-[benzyl(methyl)amino]-N-(2,6-difluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-[benzyl(methyl)amino]-N-(2,6-difluorophenyl)propanamide?
The canonical SMILES for (2S)-2-[benzyl(methyl)amino]-N-(2,6-difluorophenyl)propanamide is C[C@@H](C(=O)Nc1c(F)cccc1F)N(C)Cc1ccccc1.
What is the InChIKey of (2S)-2-[benzyl(methyl)amino]-N-(2,6-difluorophenyl)propanamide?
The InChIKey is GPIFLXPEALPMIF-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18F2N2O/c1-12(21(2)11-13-7-4-3-5-8-13)17(22)20-16-14(18)9-6-10-15(16)19/h3-10,12H,11H2,1-2H3,(H,20,22)/t12-/m0/s1.
What are the key properties of (2S)-2-[benzyl(methyl)amino]-N-(2,6-difluorophenyl)propanamide?
(2S)-2-[benzyl(methyl)amino]-N-(2,6-difluorophenyl)propanamide has a molecular weight of 304.34 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[benzyl(methyl)amino]-N-(2,6-difluorophenyl)propanamide is sourced from PubChem (CID 9274676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).