(2R)-N-(2-cyanophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide

C18H18FN3O — CID 8517865

IUPAC(2R)-N-(2-cyanophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
SMILESC[C@H](C(=O)Nc1ccccc1C#N)N(C)Cc1ccccc1F
InChIInChI=1S/C18H18FN3O/c1-13(22(2)12-15-8-3-5-9-16(15)19)18(23)21-17-10-6-4-7-14(17)11-20/h3-10,13H,12H2,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeyFXSXFMOONOJSPG-CYBMUJFWSA-N
MW311.36 g/mol
LogP3.16
Rot. Bonds5

About (2R)-N-(2-cyanophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide

(2R)-N-(2-cyanophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide (PubChem CID 8517865) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is (2R)-N-(2-cyanophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-cyanophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
PubChem CID8517865
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name(2R)-N-(2-cyanophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
SMILESC[C@H](C(=O)Nc1ccccc1C#N)N(C)Cc1ccccc1F
InChIInChI=1S/C18H18FN3O/c1-13(22(2)12-15-8-3-5-9-16(15)19)18(23)21-17-10-6-4-7-14(17)11-20/h3-10,13H,12H2,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeyFXSXFMOONOJSPG-CYBMUJFWSA-N
XLogP3.16
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517819
(2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517815
N-(2-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271243
(2R)-N-(2-cyanophenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide
CID 8515756
N-(2-cyanophenyl)-2-[(4-ethylphenyl)methyl-methylamino]propanamide
CID 51168320
(2R)-2-[(2-fluorophenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 8517845
(2R)-N-(2-cyanophenyl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide
CID 41337356
N-(2-cyanophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide
CID 47395538
N-(2-butan-2-ylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 4879414
(2R)-N-(2-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
CID 9102232
N-(2-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]propanamide
CID 61422743
N-(2-cyanophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
CID 51168369

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-cyanophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide?
The IUPAC name of (2R)-N-(2-cyanophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide (CID 8517865) is (2R)-N-(2-cyanophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide.
What is the SMILES notation for (2R)-N-(2-cyanophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide?
The canonical SMILES for (2R)-N-(2-cyanophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide is C[C@H](C(=O)Nc1ccccc1C#N)N(C)Cc1ccccc1F.
What is the InChIKey of (2R)-N-(2-cyanophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide?
The InChIKey is FXSXFMOONOJSPG-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-13(22(2)12-15-8-3-5-9-16(15)19)18(23)21-17-10-6-4-7-14(17)11-20/h3-10,13H,12H2,1-2H3,(H,21,23)/t13-/m1/s1.
What are the key properties of (2R)-N-(2-cyanophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide?
(2R)-N-(2-cyanophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide has a molecular weight of 311.36 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-cyanophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 8517865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).