2-amino-N-(3-bromo-4-chlorophenyl)-2-methylpentanamide;hydrochloride

C12H17BrCl2N2O — CID 119781400

IUPAC2-amino-N-(3-bromo-4-chlorophenyl)-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ccc(Cl)c(Br)c1.Cl
InChIInChI=1S/C12H16BrClN2O.ClH/c1-3-6-12(2,15)11(17)16-8-4-5-10(14)9(13)7-8;/h4-5,7H,3,6,15H2,1-2H3,(H,16,17);1H
InChIKeyAEQLGUVQFAWJGP-UHFFFAOYSA-N
MW356.09 g/mol
LogP3.98
Rot. Bonds4

About 2-amino-N-(3-bromo-4-chlorophenyl)-2-methylpentanamide;hydrochloride

2-amino-N-(3-bromo-4-chlorophenyl)-2-methylpentanamide;hydrochloride (PubChem CID 119781400) has the molecular formula C12H17BrCl2N2O and a molecular weight of 356.09 g/mol. Its IUPAC name is 2-amino-N-(3-bromo-4-chlorophenyl)-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(3-bromo-4-chlorophenyl)-2-methylpentanamide;hydrochloride
PubChem CID119781400
Molecular FormulaC12H17BrCl2N2O
Molecular Weight356.09 g/mol
Exact Mass353.99
IUPAC Name2-amino-N-(3-bromo-4-chlorophenyl)-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1ccc(Cl)c(Br)c1.Cl
InChIInChI=1S/C12H16BrClN2O.ClH/c1-3-6-12(2,15)11(17)16-8-4-5-10(14)9(13)7-8;/h4-5,7H,3,6,15H2,1-2H3,(H,16,17);1H
InChIKeyAEQLGUVQFAWJGP-UHFFFAOYSA-N
XLogP3.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.09
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-methylbenzamide;hydrochloride
CID 119738495
5-[(2-amino-2-methylpentanoyl)amino]-2-chlorobenzamide;hydrochloride
CID 119711593
5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride
CID 119713294
N-(5-acetamido-2-chlorophenyl)-2-amino-2-methylpentanamide;hydrochloride
CID 119707643
2-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-methylpentanamide;hydrochloride
CID 119790140
2-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylpentanamide;hydrochloride
CID 119715576
2-amino-N-(3-bromophenyl)-2-methylpentanamide
CID 60847337
2-amino-2-methyl-N-[4-(propanoylamino)phenyl]pentanamide;hydrochloride
CID 119735835
2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-methylpentanamide
CID 113445510
2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide
CID 60848568
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpentanamide;hydrochloride
CID 119734502
4-[(2-amino-2-methylpentanoyl)amino]benzoic acid
CID 61156660

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-bromo-4-chlorophenyl)-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(3-bromo-4-chlorophenyl)-2-methylpentanamide;hydrochloride (CID 119781400) is 2-amino-N-(3-bromo-4-chlorophenyl)-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(3-bromo-4-chlorophenyl)-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(3-bromo-4-chlorophenyl)-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)Nc1ccc(Cl)c(Br)c1.Cl.
What is the InChIKey of 2-amino-N-(3-bromo-4-chlorophenyl)-2-methylpentanamide;hydrochloride?
The InChIKey is AEQLGUVQFAWJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O.ClH/c1-3-6-12(2,15)11(17)16-8-4-5-10(14)9(13)7-8;/h4-5,7H,3,6,15H2,1-2H3,(H,16,17);1H.
What are the key properties of 2-amino-N-(3-bromo-4-chlorophenyl)-2-methylpentanamide;hydrochloride?
2-amino-N-(3-bromo-4-chlorophenyl)-2-methylpentanamide;hydrochloride has a molecular weight of 356.09 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-bromo-4-chlorophenyl)-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119781400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).