(2R)-3-(3,4-difluorophenyl)-N-methyl-2-(methylamino)propanamide

C11H14F2N2O — CID 10561294

IUPAC(2R)-3-(3,4-difluorophenyl)-N-methyl-2-(methylamino)propanamide
SMILESCNC(=O)[C@@H](Cc1ccc(F)c(F)c1)NC
InChIInChI=1S/C11H14F2N2O/c1-14-10(11(16)15-2)6-7-3-4-8(12)9(13)5-7/h3-5,10,14H,6H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyBGAIUDXSUOVZHM-SNVBAGLBSA-N
MW228.24 g/mol
LogP0.84
Rot. Bonds4

About (2R)-3-(3,4-difluorophenyl)-N-methyl-2-(methylamino)propanamide

(2R)-3-(3,4-difluorophenyl)-N-methyl-2-(methylamino)propanamide (PubChem CID 10561294) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is (2R)-3-(3,4-difluorophenyl)-N-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound Name(2R)-3-(3,4-difluorophenyl)-N-methyl-2-(methylamino)propanamide
PubChem CID10561294
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name(2R)-3-(3,4-difluorophenyl)-N-methyl-2-(methylamino)propanamide
SMILESCNC(=O)[C@@H](Cc1ccc(F)c(F)c1)NC
InChIInChI=1S/C11H14F2N2O/c1-14-10(11(16)15-2)6-7-3-4-8(12)9(13)5-7/h3-5,10,14H,6H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyBGAIUDXSUOVZHM-SNVBAGLBSA-N
XLogP0.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057983
methyl 4-(3,4-difluorophenyl)-3-(methylamino)butanoate
CID 82351619
methyl (2R)-2-[(2-chloroacetyl)amino]-3-(3,4-difluorophenyl)propanoate
CID 69417562
3-[(3,4-difluorophenyl)methyl]-5-hydroxypentan-2-one
CID 103343871
3-(3,4-difluorophenyl)-2-fluoropropanoic acid
CID 81357959
3-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentan-2-amine
CID 82920845
4-(3,4-difluorophenyl)-3-methylbutanoic acid
CID 82935908
1-(3,4-difluorophenyl)-N-methyl-3-methylsulfonylbutan-2-amine
CID 113422166
2-(aminomethyl)-3-(3,4-difluorophenyl)-N-propylpropanamide
CID 62081171
(2S)-N-[(6-amino-3-pyridinyl)methyl]-3-(3,4-difluorophenyl)-2-[2-(methylamino)propanoylamino]propanamide
CID 68529085
[1-carboxy-2-(3,4-difluorophenyl)ethyl]azanium
CID 20769065
(2R)-2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide
CID 124512316

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3,4-difluorophenyl)-N-methyl-2-(methylamino)propanamide?
The IUPAC name of (2R)-3-(3,4-difluorophenyl)-N-methyl-2-(methylamino)propanamide (CID 10561294) is (2R)-3-(3,4-difluorophenyl)-N-methyl-2-(methylamino)propanamide.
What is the SMILES notation for (2R)-3-(3,4-difluorophenyl)-N-methyl-2-(methylamino)propanamide?
The canonical SMILES for (2R)-3-(3,4-difluorophenyl)-N-methyl-2-(methylamino)propanamide is CNC(=O)[C@@H](Cc1ccc(F)c(F)c1)NC.
What is the InChIKey of (2R)-3-(3,4-difluorophenyl)-N-methyl-2-(methylamino)propanamide?
The InChIKey is BGAIUDXSUOVZHM-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-14-10(11(16)15-2)6-7-3-4-8(12)9(13)5-7/h3-5,10,14H,6H2,1-2H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-3-(3,4-difluorophenyl)-N-methyl-2-(methylamino)propanamide?
(2R)-3-(3,4-difluorophenyl)-N-methyl-2-(methylamino)propanamide has a molecular weight of 228.24 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3,4-difluorophenyl)-N-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 10561294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).