(2S)-2-amino-N-[(3-bromo-5-fluorophenyl)methyl]propanamide;hydrochloride

C10H13BrClFN2O — CID 119300582

IUPAC(2S)-2-amino-N-[(3-bromo-5-fluorophenyl)methyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)NCc1cc(F)cc(Br)c1.Cl
InChIInChI=1S/C10H12BrFN2O.ClH/c1-6(13)10(15)14-5-7-2-8(11)4-9(12)3-7;/h2-4,6H,5,13H2,1H3,(H,14,15);1H/t6-;/m0./s1
InChIKeyYVYWFPCFVCMVTB-RGMNGODLSA-N
MW311.58 g/mol
LogP1.97
Rot. Bonds3

About (2S)-2-amino-N-[(3-bromo-5-fluorophenyl)methyl]propanamide;hydrochloride

(2S)-2-amino-N-[(3-bromo-5-fluorophenyl)methyl]propanamide;hydrochloride (PubChem CID 119300582) has the molecular formula C10H13BrClFN2O and a molecular weight of 311.58 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3-bromo-5-fluorophenyl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3-bromo-5-fluorophenyl)methyl]propanamide;hydrochloride
PubChem CID119300582
Molecular FormulaC10H13BrClFN2O
Molecular Weight311.58 g/mol
Exact Mass309.99
IUPAC Name(2S)-2-amino-N-[(3-bromo-5-fluorophenyl)methyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)NCc1cc(F)cc(Br)c1.Cl
InChIInChI=1S/C10H12BrFN2O.ClH/c1-6(13)10(15)14-5-7-2-8(11)4-9(12)3-7;/h2-4,6H,5,13H2,1H3,(H,14,15);1H/t6-;/m0./s1
InChIKeyYVYWFPCFVCMVTB-RGMNGODLSA-N
XLogP1.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.58
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(3-fluorophenyl)methyl]propanamide
CID 43123316
N-[(3,5-difluorophenyl)methyl]-2-methylpropanamide
CID 58862460
(2S,3S)-2-[(3-bromo-5-fluorophenyl)methylamino]-3-methylpentanoic acid
CID 122072906
(2R)-2-amino-N-[(3,4-difluorophenyl)methyl]propanamide
CID 78973210
2-amino-N-[(2-bromo-4-fluorophenyl)methyl]propanamide
CID 119297944
2-acetamido-N-[2-[(3-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 51124080
1-(3-bromo-5-fluorophenyl)-4-methylpentan-3-amine
CID 79701954
2-amino-N-[(3-chloro-4-fluorophenyl)methyl]propanamide;hydrochloride
CID 119280875
2-(4-bromophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide
CID 55596800
(2R)-2-amino-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119312695
2-amino-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119272316
(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119280925

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3-bromo-5-fluorophenyl)methyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[(3-bromo-5-fluorophenyl)methyl]propanamide;hydrochloride (CID 119300582) is (2S)-2-amino-N-[(3-bromo-5-fluorophenyl)methyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[(3-bromo-5-fluorophenyl)methyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[(3-bromo-5-fluorophenyl)methyl]propanamide;hydrochloride is C[C@H](N)C(=O)NCc1cc(F)cc(Br)c1.Cl.
What is the InChIKey of (2S)-2-amino-N-[(3-bromo-5-fluorophenyl)methyl]propanamide;hydrochloride?
The InChIKey is YVYWFPCFVCMVTB-RGMNGODLSA-N. The full InChI is InChI=1S/C10H12BrFN2O.ClH/c1-6(13)10(15)14-5-7-2-8(11)4-9(12)3-7;/h2-4,6H,5,13H2,1H3,(H,14,15);1H/t6-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[(3-bromo-5-fluorophenyl)methyl]propanamide;hydrochloride?
(2S)-2-amino-N-[(3-bromo-5-fluorophenyl)methyl]propanamide;hydrochloride has a molecular weight of 311.58 g/mol, XLogP of 1.97, 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-[(3-bromo-5-fluorophenyl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 119300582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).