(2R)-2-[benzyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide

C17H18F2N2O — CID 9274686

IUPAC(2R)-2-[benzyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(F)c(F)c1)N(C)Cc1ccccc1
InChIInChI=1S/C17H18F2N2O/c1-12(21(2)11-13-6-4-3-5-7-13)17(22)20-14-8-9-15(18)16(19)10-14/h3-10,12H,11H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyFVPIGJWXYXSTRC-GFCCVEGCSA-N
MW304.34 g/mol
LogP3.42
Rot. Bonds5

About (2R)-2-[benzyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide

(2R)-2-[benzyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide (PubChem CID 9274686) has the molecular formula C17H18F2N2O and a molecular weight of 304.34 g/mol. Its IUPAC name is (2R)-2-[benzyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[benzyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide
PubChem CID9274686
Molecular FormulaC17H18F2N2O
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC Name(2R)-2-[benzyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(F)c(F)c1)N(C)Cc1ccccc1
InChIInChI=1S/C17H18F2N2O/c1-12(21(2)11-13-6-4-3-5-7-13)17(22)20-14-8-9-15(18)16(19)10-14/h3-10,12H,11H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyFVPIGJWXYXSTRC-GFCCVEGCSA-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

N-(3,4-difluorophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 24506649
(2S)-2-[benzyl(methyl)amino]-N-(2,6-difluorophenyl)propanamide
CID 9274676
(2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-phenylpropanamide
CID 8516170
N-(3,4-difluorophenyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]propanamide
CID 46563659
2-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 17405256
(2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide
CID 9274605
2-[benzyl(methyl)amino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide
CID 18093868
(2R)-2-[benzyl(methyl)amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 9356689
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-phenylpropanamide
CID 18191621
benzyl-[(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274685
3-[benzyl(propan-2-yl)amino]-N-(3,4-difluorophenyl)propanamide
CID 109031875
N-(3-chloro-4-fluorophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
CID 18274343

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[benzyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide?
The IUPAC name of (2R)-2-[benzyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide (CID 9274686) is (2R)-2-[benzyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-[benzyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide?
The canonical SMILES for (2R)-2-[benzyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide is C[C@H](C(=O)Nc1ccc(F)c(F)c1)N(C)Cc1ccccc1.
What is the InChIKey of (2R)-2-[benzyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide?
The InChIKey is FVPIGJWXYXSTRC-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18F2N2O/c1-12(21(2)11-13-6-4-3-5-7-13)17(22)20-14-8-9-15(18)16(19)10-14/h3-10,12H,11H2,1-2H3,(H,20,22)/t12-/m1/s1.
What are the key properties of (2R)-2-[benzyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide?
(2R)-2-[benzyl(methyl)amino]-N-(3,4-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 (2R)-2-[benzyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide is sourced from PubChem (CID 9274686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).