(2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3-phenylpropanamide;hydrochloride

C18H21ClF2N2O2 — CID 119315356

IUPAC(2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3-phenylpropanamide;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)C(=O)NCc1cccc(OCC(F)F)c1
InChIInChI=1S/C18H20F2N2O2.ClH/c19-17(20)12-24-15-8-4-7-14(9-15)11-22-18(23)16(21)10-13-5-2-1-3-6-13;/h1-9,16-17H,10-12,21H2,(H,22,23);1H/t16-;/m0./s1
InChIKeyAKAXQTRRZPFSIK-NTISSMGPSA-N
MW370.83 g/mol
LogP2.94
Rot. Bonds8

About (2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3-phenylpropanamide;hydrochloride

(2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119315356) has the molecular formula C18H21ClF2N2O2 and a molecular weight of 370.83 g/mol. Its IUPAC name is (2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3-phenylpropanamide;hydrochloride
PubChem CID119315356
Molecular FormulaC18H21ClF2N2O2
Molecular Weight370.83 g/mol
Exact Mass370.13
IUPAC Name(2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3-phenylpropanamide;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)C(=O)NCc1cccc(OCC(F)F)c1
InChIInChI=1S/C18H20F2N2O2.ClH/c19-17(20)12-24-15-8-4-7-14(9-15)11-22-18(23)16(21)10-13-5-2-1-3-6-13;/h1-9,16-17H,10-12,21H2,(H,22,23);1H/t16-;/m0./s1
InChIKeyAKAXQTRRZPFSIK-NTISSMGPSA-N
XLogP2.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]pentanamide
CID 119315367
(2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3,3-dimethylbutanamide
CID 119769412
2-amino-N-[(3-aminophenyl)methyl]-3-phenylpropanamide
CID 110483800
2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120791700
(2S)-2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide;hydrochloride
CID 119304969
2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]pentanamide
CID 119304653
2-amino-N-[(3-ethoxyphenyl)methyl]pentanamide
CID 60872985
(2R)-2-amino-N-(2-phenoxyethyl)-3-phenylpropanamide
CID 78984684
3-amino-2-methyl-3-phenyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119712578
2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 107231056
(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 107231146
(2S)-2-amino-3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119272311

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3-phenylpropanamide;hydrochloride (CID 119315356) is (2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3-phenylpropanamide;hydrochloride is Cl.N[C@@H](Cc1ccccc1)C(=O)NCc1cccc(OCC(F)F)c1.
What is the InChIKey of (2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is AKAXQTRRZPFSIK-NTISSMGPSA-N. The full InChI is InChI=1S/C18H20F2N2O2.ClH/c19-17(20)12-24-15-8-4-7-14(9-15)11-22-18(23)16(21)10-13-5-2-1-3-6-13;/h1-9,16-17H,10-12,21H2,(H,22,23);1H/t16-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3-phenylpropanamide;hydrochloride?
(2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 370.83 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119315356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).