N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2,2-dimethylpropanamide

C12H14BrCl2NO — CID 104723119

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2,2-dimethylpropanamide
SMILESCc1cc(Br)c(NC(=O)C(C)(C)CCl)cc1Cl
InChIInChI=1S/C12H14BrCl2NO/c1-7-4-8(13)10(5-9(7)15)16-11(17)12(2,3)6-14/h4-5H,6H2,1-3H3,(H,16,17)
InChIKeyPHWMEAPYBHYPPB-UHFFFAOYSA-N
MW339.06 g/mol
LogP4.61
Rot. Bonds3

About N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2,2-dimethylpropanamide

N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2,2-dimethylpropanamide (PubChem CID 104723119) has the molecular formula C12H14BrCl2NO and a molecular weight of 339.06 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2,2-dimethylpropanamide
PubChem CID104723119
Molecular FormulaC12H14BrCl2NO
Molecular Weight339.06 g/mol
Exact Mass336.96
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2,2-dimethylpropanamide
SMILESCc1cc(Br)c(NC(=O)C(C)(C)CCl)cc1Cl
InChIInChI=1S/C12H14BrCl2NO/c1-7-4-8(13)10(5-9(7)15)16-11(17)12(2,3)6-14/h4-5H,6H2,1-3H3,(H,16,17)
InChIKeyPHWMEAPYBHYPPB-UHFFFAOYSA-N
XLogP4.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.06
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-methylpentanamide
CID 113445510
N-(2-bromo-4-chlorophenyl)-3-chloro-2,2-dimethylpropanamide
CID 81264003
(3Z)-3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 104724954
N-(2-bromo-5-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 104723917
3-(2-bromo-5-chloro-4-methylanilino)-3-oxopropanoic acid
CID 104725181
N-(2-bromo-5-chloro-4-methylphenyl)-2-propylpentanamide
CID 113445559
(2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-3,3-dimethylbutanamide
CID 113445501
3-(2-bromo-5-chloro-4-methylphenyl)-1,1-diethylurea
CID 104724253
N-(2-bromo-5-chloro-4-methylphenyl)prop-2-ynamide
CID 104723899
3-chloro-N-(3-chloro-4-methylphenyl)-2,2-dimethylpropanamide
CID 63679947
2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]acetic acid
CID 104724802
3-(2-bromo-5-chloro-4-methylphenyl)-1-ethyl-1-methylurea
CID 104724220

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2,2-dimethylpropanamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2,2-dimethylpropanamide (CID 104723119) is N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2,2-dimethylpropanamide is Cc1cc(Br)c(NC(=O)C(C)(C)CCl)cc1Cl.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2,2-dimethylpropanamide?
The InChIKey is PHWMEAPYBHYPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrCl2NO/c1-7-4-8(13)10(5-9(7)15)16-11(17)12(2,3)6-14/h4-5H,6H2,1-3H3,(H,16,17).
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2,2-dimethylpropanamide?
N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2,2-dimethylpropanamide has a molecular weight of 339.06 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2,2-dimethylpropanamide is sourced from PubChem (CID 104723119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).