N-(4-bromo-2-chloro-6-methylphenyl)-3,3-dimethylbutanamide

C13H17BrClNO — CID 58097339

IUPACN-(4-bromo-2-chloro-6-methylphenyl)-3,3-dimethylbutanamide
SMILESCc1cc(Br)cc(Cl)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C13H17BrClNO/c1-8-5-9(14)6-10(15)12(8)16-11(17)7-13(2,3)4/h5-6H,7H2,1-4H3,(H,16,17)
InChIKeyYJCOLSSFOXCVQM-UHFFFAOYSA-N
MW318.64 g/mol
LogP4.79
Rot. Bonds2

About N-(4-bromo-2-chloro-6-methylphenyl)-3,3-dimethylbutanamide

N-(4-bromo-2-chloro-6-methylphenyl)-3,3-dimethylbutanamide (PubChem CID 58097339) has the molecular formula C13H17BrClNO and a molecular weight of 318.64 g/mol. Its IUPAC name is N-(4-bromo-2-chloro-6-methylphenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(4-bromo-2-chloro-6-methylphenyl)-3,3-dimethylbutanamide
PubChem CID58097339
Molecular FormulaC13H17BrClNO
Molecular Weight318.64 g/mol
Exact Mass317.02
IUPAC NameN-(4-bromo-2-chloro-6-methylphenyl)-3,3-dimethylbutanamide
SMILESCc1cc(Br)cc(Cl)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C13H17BrClNO/c1-8-5-9(14)6-10(15)12(8)16-11(17)7-13(2,3)4/h5-6H,7H2,1-4H3,(H,16,17)
InChIKeyYJCOLSSFOXCVQM-UHFFFAOYSA-N
XLogP4.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.64
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-bromo-2,6-dichloroanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 65302251
N-[(2-chloro-4,6-dimethylphenyl)carbamothioyl]-3,3-dimethylbutanamide
CID 19189257
5-(4-bromo-2,6-dimethylanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 47303447
2-(4-bromo-2,6-dimethylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 1191397
2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 81223490
N-(4-bromo-2,6-dichlorophenyl)-3-(tert-butylamino)propanamide
CID 54928480
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)-3,3-dimethylbutanamide
CID 43246574
N-(2-chloro-4,6-dimethylphenyl)-2-(methylamino)acetamide
CID 83537406
N-(4-bromo-2,6-dimethylphenyl)-3-chloro-2,2-dimethylpropanamide
CID 63681085
N-(4-bromophenyl)-N'-(2-chloro-4,6-dimethylphenyl)propanediamide
CID 108955337
N-(4-bromo-2,6-dichlorophenyl)acetamide
CID 12622270

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chloro-6-methylphenyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(4-bromo-2-chloro-6-methylphenyl)-3,3-dimethylbutanamide (CID 58097339) is N-(4-bromo-2-chloro-6-methylphenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(4-bromo-2-chloro-6-methylphenyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(4-bromo-2-chloro-6-methylphenyl)-3,3-dimethylbutanamide is Cc1cc(Br)cc(Cl)c1NC(=O)CC(C)(C)C.
What is the InChIKey of N-(4-bromo-2-chloro-6-methylphenyl)-3,3-dimethylbutanamide?
The InChIKey is YJCOLSSFOXCVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO/c1-8-5-9(14)6-10(15)12(8)16-11(17)7-13(2,3)4/h5-6H,7H2,1-4H3,(H,16,17).
What are the key properties of N-(4-bromo-2-chloro-6-methylphenyl)-3,3-dimethylbutanamide?
N-(4-bromo-2-chloro-6-methylphenyl)-3,3-dimethylbutanamide has a molecular weight of 318.64 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chloro-6-methylphenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 58097339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).