(2S)-2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]butanamide;hydrochloride

C13H19ClF2N2O2 — CID 119285586

IUPAC(2S)-2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)NC(C)c1ccccc1OC(F)F.Cl
InChIInChI=1S/C13H18F2N2O2.ClH/c1-3-10(16)12(18)17-8(2)9-6-4-5-7-11(9)19-13(14)15;/h4-8,10,13H,3,16H2,1-2H3,(H,17,18);1H/t8?,10-;/m0./s1
InChIKeyBQPSZCQJYQIIOY-LQRGNCEWSA-N
MW308.76 g/mol
LogP2.62
Rot. Bonds6

About (2S)-2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]butanamide;hydrochloride

(2S)-2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]butanamide;hydrochloride (PubChem CID 119285586) has the molecular formula C13H19ClF2N2O2 and a molecular weight of 308.76 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]butanamide;hydrochloride
PubChem CID119285586
Molecular FormulaC13H19ClF2N2O2
Molecular Weight308.76 g/mol
Exact Mass308.11
IUPAC Name(2S)-2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)NC(C)c1ccccc1OC(F)F.Cl
InChIInChI=1S/C13H18F2N2O2.ClH/c1-3-10(16)12(18)17-8(2)9-6-4-5-7-11(9)19-13(14)15;/h4-8,10,13H,3,16H2,1-2H3,(H,17,18);1H/t8?,10-;/m0./s1
InChIKeyBQPSZCQJYQIIOY-LQRGNCEWSA-N
XLogP2.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]propanamide
CID 43709973
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119716596
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methoxypropanamide
CID 112685807
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-ethylbutanamide
CID 79813978
4-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 80543450
(2R)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanamide
CID 81377906
3-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119949678
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpropanamide;hydrochloride
CID 119285570
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 79797474
2-amino-3-methoxy-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 81089691
methyl 2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoate
CID 115352796
2-amino-N-[(1S)-1-(2-bromophenyl)ethyl]butanamide
CID 81397158

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]butanamide;hydrochloride (CID 119285586) is (2S)-2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]butanamide;hydrochloride is CC[C@H](N)C(=O)NC(C)c1ccccc1OC(F)F.Cl.
What is the InChIKey of (2S)-2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]butanamide;hydrochloride?
The InChIKey is BQPSZCQJYQIIOY-LQRGNCEWSA-N. The full InChI is InChI=1S/C13H18F2N2O2.ClH/c1-3-10(16)12(18)17-8(2)9-6-4-5-7-11(9)19-13(14)15;/h4-8,10,13H,3,16H2,1-2H3,(H,17,18);1H/t8?,10-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]butanamide;hydrochloride?
(2S)-2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]butanamide;hydrochloride has a molecular weight of 308.76 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119285586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).