(2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride

C13H19ClF2N2O — CID 119708034

IUPAC(2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)NCc1ccc(F)cc1F.Cl
InChIInChI=1S/C13H18F2N2O.ClH/c1-13(2,3)11(16)12(18)17-7-8-4-5-9(14)6-10(8)15;/h4-6,11H,7,16H2,1-3H3,(H,17,18);1H/t11-;/m1./s1
InChIKeyKOZMUEOHTKVFGN-RFVHGSKJSA-N
MW292.76 g/mol
LogP2.38
Rot. Bonds3

About (2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride

(2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride (PubChem CID 119708034) has the molecular formula C13H19ClF2N2O and a molecular weight of 292.76 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
PubChem CID119708034
Molecular FormulaC13H19ClF2N2O
Molecular Weight292.76 g/mol
Exact Mass292.12
IUPAC Name(2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)NCc1ccc(F)cc1F.Cl
InChIInChI=1S/C13H18F2N2O.ClH/c1-13(2,3)11(16)12(18)17-7-8-4-5-9(14)6-10(8)15;/h4-6,11H,7,16H2,1-3H3,(H,17,18);1H/t11-;/m1./s1
InChIKeyKOZMUEOHTKVFGN-RFVHGSKJSA-N
XLogP2.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119708234
(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119280925
(2R)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutanamide
CID 103929422
(2S)-2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119744889
3-amino-N-[(2,4-difluorophenyl)methyl]butanamide;hydrochloride
CID 119708041
3-amino-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
CID 62229790
2-amino-N-[(2,4-difluorophenyl)methyl]-3-methylpentanamide
CID 55053137
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-3,3-dimethylbutanamide
CID 76897904
(2S)-2-amino-N-[(4-chloro-2-methoxyphenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119779172
3-chloro-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
CID 62726867
(2S)-2-amino-3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 119688348
(2S)-2-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119707921

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride (CID 119708034) is (2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride is CC(C)(C)[C@H](N)C(=O)NCc1ccc(F)cc1F.Cl.
What is the InChIKey of (2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride?
The InChIKey is KOZMUEOHTKVFGN-RFVHGSKJSA-N. The full InChI is InChI=1S/C13H18F2N2O.ClH/c1-13(2,3)11(16)12(18)17-7-8-4-5-9(14)6-10(8)15;/h4-6,11H,7,16H2,1-3H3,(H,17,18);1H/t11-;/m1./s1.
What are the key properties of (2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride?
(2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride has a molecular weight of 292.76 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 119708034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).