2-amino-N-[(4-bromo-2-chlorophenyl)methyl]pentanamide;hydrochloride

C12H17BrCl2N2O — CID 119306106

IUPAC2-amino-N-[(4-bromo-2-chlorophenyl)methyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCc1ccc(Br)cc1Cl.Cl
InChIInChI=1S/C12H16BrClN2O.ClH/c1-2-3-11(15)12(17)16-7-8-4-5-9(13)6-10(8)14;/h4-6,11H,2-3,7,15H2,1H3,(H,16,17);1H
InChIKeyKVARWSGOUOUTHT-UHFFFAOYSA-N
MW356.09 g/mol
LogP3.27
Rot. Bonds5

About 2-amino-N-[(4-bromo-2-chlorophenyl)methyl]pentanamide;hydrochloride

2-amino-N-[(4-bromo-2-chlorophenyl)methyl]pentanamide;hydrochloride (PubChem CID 119306106) has the molecular formula C12H17BrCl2N2O and a molecular weight of 356.09 g/mol. Its IUPAC name is 2-amino-N-[(4-bromo-2-chlorophenyl)methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(4-bromo-2-chlorophenyl)methyl]pentanamide;hydrochloride
PubChem CID119306106
Molecular FormulaC12H17BrCl2N2O
Molecular Weight356.09 g/mol
Exact Mass353.99
IUPAC Name2-amino-N-[(4-bromo-2-chlorophenyl)methyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCc1ccc(Br)cc1Cl.Cl
InChIInChI=1S/C12H16BrClN2O.ClH/c1-2-3-11(15)12(17)16-7-8-4-5-9(13)6-10(8)14;/h4-6,11H,2-3,7,15H2,1H3,(H,16,17);1H
InChIKeyKVARWSGOUOUTHT-UHFFFAOYSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.09
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(5-bromo-2-fluorophenyl)methyl]pentanamide
CID 61300631
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide;hydrochloride
CID 119263881
N-[(4-bromo-2-chlorophenyl)methyl]propanamide
CID 67191892
2-amino-N-[(2-ethylphenyl)methyl]pentanamide;hydrochloride
CID 119331955
2-amino-N-[(2,4-dimethylphenyl)methyl]pentanamide;hydrochloride
CID 119285242
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]hexanamide
CID 61301214
2-[(4-bromo-2-chlorophenyl)methylamino]-N-propylpropanamide
CID 113242861
(2S)-2-amino-N-[(4-bromo-2-methylphenyl)methyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119322092
N-[(4-bromo-2-chlorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119753670
(2S)-2-amino-N-[(4-bromo-2-methylphenyl)methyl]-4-methylsulfanylbutanamide
CID 119322093
2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pentanamide
CID 119316740
(2S)-2-amino-N-[(4-bromo-2-methylphenyl)methyl]-4-methylpentanamide;hydrochloride
CID 119781005

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-bromo-2-chlorophenyl)methyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(4-bromo-2-chlorophenyl)methyl]pentanamide;hydrochloride (CID 119306106) is 2-amino-N-[(4-bromo-2-chlorophenyl)methyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(4-bromo-2-chlorophenyl)methyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(4-bromo-2-chlorophenyl)methyl]pentanamide;hydrochloride is CCCC(N)C(=O)NCc1ccc(Br)cc1Cl.Cl.
What is the InChIKey of 2-amino-N-[(4-bromo-2-chlorophenyl)methyl]pentanamide;hydrochloride?
The InChIKey is KVARWSGOUOUTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O.ClH/c1-2-3-11(15)12(17)16-7-8-4-5-9(13)6-10(8)14;/h4-6,11H,2-3,7,15H2,1H3,(H,16,17);1H.
What are the key properties of 2-amino-N-[(4-bromo-2-chlorophenyl)methyl]pentanamide;hydrochloride?
2-amino-N-[(4-bromo-2-chlorophenyl)methyl]pentanamide;hydrochloride has a molecular weight of 356.09 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-bromo-2-chlorophenyl)methyl]pentanamide;hydrochloride is sourced from PubChem (CID 119306106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).