(2S)-2-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide;hydrochloride

C11H14BrClF2N2O2 — CID 119313626

IUPAC(2S)-2-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)NCc1cc(Br)ccc1OC(F)F.Cl
InChIInChI=1S/C11H13BrF2N2O2.ClH/c1-6(15)10(17)16-5-7-4-8(12)2-3-9(7)18-11(13)14;/h2-4,6,11H,5,15H2,1H3,(H,16,17);1H/t6-;/m0./s1
InChIKeyVYCJLWVAPZPCNS-RGMNGODLSA-N
MW359.60 g/mol
LogP2.44
Rot. Bonds5

About (2S)-2-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide;hydrochloride

(2S)-2-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide;hydrochloride (PubChem CID 119313626) has the molecular formula C11H14BrClF2N2O2 and a molecular weight of 359.60 g/mol. Its IUPAC name is (2S)-2-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide;hydrochloride
PubChem CID119313626
Molecular FormulaC11H14BrClF2N2O2
Molecular Weight359.60 g/mol
Exact Mass357.99
IUPAC Name(2S)-2-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)NCc1cc(Br)ccc1OC(F)F.Cl
InChIInChI=1S/C11H13BrF2N2O2.ClH/c1-6(15)10(17)16-5-7-4-8(12)2-3-9(7)18-11(13)14;/h2-4,6,11H,5,15H2,1H3,(H,16,17);1H/t6-;/m0./s1
InChIKeyVYCJLWVAPZPCNS-RGMNGODLSA-N
XLogP2.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.60
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-methylbutanamide
CID 120500084
3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119766532
(2R)-2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]propanamide
CID 119340956
2-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]propanamide
CID 43232569
1-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-methylguanidine
CID 110930479
4-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]butanamide
CID 119313649
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]hydroxylamine
CID 82686505
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-3-methylbutan-2-amine
CID 43221077
(2S)-2-amino-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-4-methylpentanamide;hydrochloride
CID 119816353
(2R)-2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]propanamide;hydrochloride
CID 119338916
2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120991501
3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 119766513

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide;hydrochloride (CID 119313626) is (2S)-2-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide;hydrochloride is C[C@H](N)C(=O)NCc1cc(Br)ccc1OC(F)F.Cl.
What is the InChIKey of (2S)-2-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide;hydrochloride?
The InChIKey is VYCJLWVAPZPCNS-RGMNGODLSA-N. The full InChI is InChI=1S/C11H13BrF2N2O2.ClH/c1-6(15)10(17)16-5-7-4-8(12)2-3-9(7)18-11(13)14;/h2-4,6,11H,5,15H2,1H3,(H,16,17);1H/t6-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide;hydrochloride?
(2S)-2-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide;hydrochloride has a molecular weight of 359.60 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 119313626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).