N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

C13H19BrClFN2O — CID 119742387

IUPACN-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCCc1ccc(F)c(Br)c1.Cl
InChIInChI=1S/C13H18BrFN2O.ClH/c1-9(8-16-2)13(18)17-6-5-10-3-4-12(15)11(14)7-10;/h3-4,7,9,16H,5-6,8H2,1-2H3,(H,17,18);1H
InChIKeyLRQQOHHYPCEMMW-UHFFFAOYSA-N
MW353.66 g/mol
LogP2.52
Rot. Bonds6

About N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119742387) has the molecular formula C13H19BrClFN2O and a molecular weight of 353.66 g/mol. Its IUPAC name is N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119742387
Molecular FormulaC13H19BrClFN2O
Molecular Weight353.66 g/mol
Exact Mass352.04
IUPAC NameN-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCCc1ccc(F)c(Br)c1.Cl
InChIInChI=1S/C13H18BrFN2O.ClH/c1-9(8-16-2)13(18)17-6-5-10-3-4-12(15)11(14)7-10;/h3-4,7,9,16H,5-6,8H2,1-2H3,(H,17,18);1H
InChIKeyLRQQOHHYPCEMMW-UHFFFAOYSA-N
XLogP2.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.66
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide
CID 119299748
(2R)-2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]propanamide
CID 119299762
1-[2-(3-bromo-4-fluorophenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111505097
N-(3-bromo-4-fluorophenyl)-2-methyl-3-(methylamino)propanamide
CID 115738288
(2S)-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94184107
N-[2-(4-ethylphenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119760944
N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79202005
N-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119697509
2-(3-bromo-4-fluorophenyl)-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119432592
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide
CID 79202218
methyl N-[3-[2-(3-bromo-4-fluorophenyl)ethylamino]-3-oxopropyl]carbamate
CID 56783360
2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylpentanamide
CID 119742406

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119742387) is N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)NCCc1ccc(F)c(Br)c1.Cl.
What is the InChIKey of N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is LRQQOHHYPCEMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O.ClH/c1-9(8-16-2)13(18)17-6-5-10-3-4-12(15)11(14)7-10;/h3-4,7,9,16H,5-6,8H2,1-2H3,(H,17,18);1H.
What are the key properties of N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 353.66 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119742387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).