(2R)-2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methylbutanamide

C14H20F2N2O — CID 79012346

IUPAC(2R)-2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methylbutanamide
SMILESCC(Cc1c(F)cccc1F)NC(=O)[C@H](N)C(C)C
InChIInChI=1S/C14H20F2N2O/c1-8(2)13(17)14(19)18-9(3)7-10-11(15)5-4-6-12(10)16/h4-6,8-9,13H,7,17H2,1-3H3,(H,18,19)/t9?,13-/m1/s1
InChIKeyGIZPQVOBULUVGX-WCRCJTMVSA-N
MW270.32 g/mol
LogP2.00
Rot. Bonds5

About (2R)-2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methylbutanamide

(2R)-2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methylbutanamide (PubChem CID 79012346) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methylbutanamide
PubChem CID79012346
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name(2R)-2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methylbutanamide
SMILESCC(Cc1c(F)cccc1F)NC(=O)[C@H](N)C(C)C
InChIInChI=1S/C14H20F2N2O/c1-8(2)13(17)14(19)18-9(3)7-10-11(15)5-4-6-12(10)16/h4-6,8-9,13H,7,17H2,1-3H3,(H,18,19)/t9?,13-/m1/s1
InChIKeyGIZPQVOBULUVGX-WCRCJTMVSA-N
XLogP2.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea
CID 95141541
2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methoxypropanamide
CID 81083554
(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide
CID 79012581
(2S)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide
CID 63009308
(2R)-2-amino-3-methyl-N-(1-phenylpropan-2-yl)butanamide
CID 79012840
N-[1-(2,6-difluorophenyl)propan-2-yl]prop-2-enamide
CID 60932780
2-bromo-N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylpropanamide
CID 114328026
N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopropanecarboxamide
CID 61027207
N-[3-[1-(2,6-difluorophenyl)propan-2-ylcarbamoylamino]phenyl]-2-methylpropanamide
CID 55819647
1-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopentane-1-carboxamide
CID 81486715
N-[1-(2,6-difluorophenyl)propan-2-yl]-3-(ethylamino)butanamide
CID 62837413
N-[1-(2,6-difluorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 60541693

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methylbutanamide (CID 79012346) is (2R)-2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methylbutanamide is CC(Cc1c(F)cccc1F)NC(=O)[C@H](N)C(C)C.
What is the InChIKey of (2R)-2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methylbutanamide?
The InChIKey is GIZPQVOBULUVGX-WCRCJTMVSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-8(2)13(17)14(19)18-9(3)7-10-11(15)5-4-6-12(10)16/h4-6,8-9,13H,7,17H2,1-3H3,(H,18,19)/t9?,13-/m1/s1.
What are the key properties of (2R)-2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methylbutanamide?
(2R)-2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methylbutanamide has a molecular weight of 270.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methylbutanamide is sourced from PubChem (CID 79012346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).