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

C14H20F2N2O — CID 103929162

IUPAC(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3,3-trimethylbutanamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C14H20F2N2O/c1-14(2,3)12(17)13(19)18(4)8-9-5-6-10(15)7-11(9)16/h5-7,12H,8,17H2,1-4H3/t12-/m0/s1
InChIKeySLIYCXSITZJLFH-LBPRGKRZSA-N
MW270.32 g/mol
LogP2.30
Rot. Bonds3

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

(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3,3-trimethylbutanamide (PubChem CID 103929162) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is (2R)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3,3-trimethylbutanamide
PubChem CID103929162
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3,3-trimethylbutanamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C14H20F2N2O/c1-14(2,3)12(17)13(19)18(4)8-9-5-6-10(15)7-11(9)16/h5-7,12H,8,17H2,1-4H3/t12-/m0/s1
InChIKeySLIYCXSITZJLFH-LBPRGKRZSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3-dimethylpentanamide
CID 61173739
2-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 107904260
N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 60725238
3-amino-N-[(2,4-difluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 119703011
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166392
ethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60725198
(2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119708034
(2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 61157066
2-cyano-N-[(2,4-difluorophenyl)methyl]-N,2-dimethylpropanamide
CID 115175159
2-amino-N-[(2-bromophenyl)methyl]-N,3,3-trimethylbutanamide
CID 76895271
3-[(2,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 55049729
2-hydroxyethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
CID 79345363

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3,3-trimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3,3-trimethylbutanamide (CID 103929162) is (2R)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3,3-trimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3,3-trimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3,3-trimethylbutanamide is CN(Cc1ccc(F)cc1F)C(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of (2R)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3,3-trimethylbutanamide?
The InChIKey is SLIYCXSITZJLFH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-14(2,3)12(17)13(19)18(4)8-9-5-6-10(15)7-11(9)16/h5-7,12H,8,17H2,1-4H3/t12-/m0/s1.
What are the key properties of (2R)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3,3-trimethylbutanamide?
(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3,3-trimethylbutanamide has a molecular weight of 270.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3,3-trimethylbutanamide is sourced from PubChem (CID 103929162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).