(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride

C10H13ClF2N2O — CID 119280925

IUPAC(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCc1ccc(F)cc1F.Cl
InChIInChI=1S/C10H12F2N2O.ClH/c1-6(13)10(15)14-5-7-2-3-8(11)4-9(7)12;/h2-4,6H,5,13H2,1H3,(H,14,15);1H/t6-;/m1./s1
InChIKeyQOKSNTWDVLKUGR-FYZOBXCZSA-N
MW250.68 g/mol
LogP1.35
Rot. Bonds3

About (2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride

(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride (PubChem CID 119280925) has the molecular formula C10H13ClF2N2O and a molecular weight of 250.68 g/mol. Its IUPAC name is (2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
PubChem CID119280925
Molecular FormulaC10H13ClF2N2O
Molecular Weight250.68 g/mol
Exact Mass250.07
IUPAC Name(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCc1ccc(F)cc1F.Cl
InChIInChI=1S/C10H12F2N2O.ClH/c1-6(13)10(15)14-5-7-2-3-8(11)4-9(7)12;/h2-4,6H,5,13H2,1H3,(H,14,15);1H/t6-;/m1./s1
InChIKeyQOKSNTWDVLKUGR-FYZOBXCZSA-N
XLogP1.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119708034
3-amino-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
CID 62229790
2-amino-N-[(2-bromo-4-fluorophenyl)methyl]propanamide
CID 119297944
2-amino-N-[(2,4-difluorophenyl)methyl]-3-methylpentanamide
CID 55053137
3-amino-N-[(2,4-difluorophenyl)methyl]butanamide;hydrochloride
CID 119708041
3-chloro-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
CID 62726867
(2S)-2-amino-3-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide
CID 112735331
2-amino-N-[2-(2,5-difluorophenyl)ethyl]propanamide
CID 115152492
2-chloro-N-[(2,4-difluorophenyl)methylcarbamoyl]propanamide
CID 62228150
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
(2R)-2-amino-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]propanamide
CID 56759225
N'-[(2,4-difluorophenyl)methyl]oxamide
CID 115191832

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride (CID 119280925) is (2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride is C[C@@H](N)C(=O)NCc1ccc(F)cc1F.Cl.
What is the InChIKey of (2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride?
The InChIKey is QOKSNTWDVLKUGR-FYZOBXCZSA-N. The full InChI is InChI=1S/C10H12F2N2O.ClH/c1-6(13)10(15)14-5-7-2-3-8(11)4-9(7)12;/h2-4,6H,5,13H2,1H3,(H,14,15);1H/t6-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride?
(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride has a molecular weight of 250.68 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 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]propanamide;hydrochloride is sourced from PubChem (CID 119280925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).