2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-methylpentanamide

C13H18BrClN2O — CID 113445510

IUPAC2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1cc(Cl)c(C)cc1Br
InChIInChI=1S/C13H18BrClN2O/c1-4-5-13(3,16)12(18)17-11-7-10(15)8(2)6-9(11)14/h6-7H,4-5,16H2,1-3H3,(H,17,18)
InChIKeyPFAHSJDVFXMYEG-UHFFFAOYSA-N
MW333.66 g/mol
LogP3.87
Rot. Bonds4

About 2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-methylpentanamide

2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-methylpentanamide (PubChem CID 113445510) has the molecular formula C13H18BrClN2O and a molecular weight of 333.66 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-methylpentanamide
PubChem CID113445510
Molecular FormulaC13H18BrClN2O
Molecular Weight333.66 g/mol
Exact Mass332.03
IUPAC Name2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1cc(Cl)c(C)cc1Br
InChIInChI=1S/C13H18BrClN2O/c1-4-5-13(3,16)12(18)17-11-7-10(15)8(2)6-9(11)14/h6-7H,4-5,16H2,1-3H3,(H,17,18)
InChIKeyPFAHSJDVFXMYEG-UHFFFAOYSA-N
XLogP3.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.66
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2,2-dimethylpropanamide
CID 104723119
2-amino-N-(2-bromo-5-methylphenyl)-2-methylpentanamide
CID 82757643
2-amino-N-(4-bromo-2-methylphenyl)-2-methylpentanamide
CID 60848199
2-amino-N-(2-bromo-5-iodophenyl)-2-methylpentanamide
CID 114259858
(3Z)-3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 104724954
2-amino-N-(3-bromo-4-chlorophenyl)-2-methylpentanamide;hydrochloride
CID 119781400
2-amino-N-(5-bromo-2,4-difluorophenyl)-2-methylpentanamide
CID 102853754
2-amino-N-(4-bromo-2,5-difluorophenyl)-2-methylpentanamide
CID 107611809
2-amino-2-methyl-N-(2,4,6-tribromophenyl)pentanamide
CID 54928689
(2R)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)butanamide
CID 104723691
(2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)butanamide
CID 104723589
N-(2-bromo-5-chloro-4-methylphenyl)-2-propylpentanamide
CID 113445559

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-methylpentanamide?
The IUPAC name of 2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-methylpentanamide (CID 113445510) is 2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-methylpentanamide?
The canonical SMILES for 2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-methylpentanamide is CCCC(C)(N)C(=O)Nc1cc(Cl)c(C)cc1Br.
What is the InChIKey of 2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-methylpentanamide?
The InChIKey is PFAHSJDVFXMYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2O/c1-4-5-13(3,16)12(18)17-11-7-10(15)8(2)6-9(11)14/h6-7H,4-5,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-methylpentanamide?
2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-methylpentanamide has a molecular weight of 333.66 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-methylpentanamide is sourced from PubChem (CID 113445510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).