N-(2-bromo-6-chloro-4-fluorophenyl)-2,2-dimethylpropanamide

C11H12BrClFNO — CID 107612461

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C11H12BrClFNO/c1-11(2,3)10(16)15-9-7(12)4-6(14)5-8(9)13/h4-5H,1-3H3,(H,15,16)
InChIKeyAFYQTLRXRJMGFD-UHFFFAOYSA-N
MW308.58 g/mol
LogP4.23
Rot. Bonds1

About N-(2-bromo-6-chloro-4-fluorophenyl)-2,2-dimethylpropanamide

N-(2-bromo-6-chloro-4-fluorophenyl)-2,2-dimethylpropanamide (PubChem CID 107612461) has the molecular formula C11H12BrClFNO and a molecular weight of 308.58 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-2,2-dimethylpropanamide
PubChem CID107612461
Molecular FormulaC11H12BrClFNO
Molecular Weight308.58 g/mol
Exact Mass306.98
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C11H12BrClFNO/c1-11(2,3)10(16)15-9-7(12)4-6(14)5-8(9)13/h4-5H,1-3H3,(H,15,16)
InChIKeyAFYQTLRXRJMGFD-UHFFFAOYSA-N
XLogP4.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.58
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropanamide
CID 107611878
N-(2-bromo-6-chloro-4-fluorophenyl)prop-2-ynamide
CID 107612535
4-(2-bromo-6-chloro-4-fluoroanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 107609248
N-(2-bromo-6-chloro-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 107612455
3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 107614461
(2R)-2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 107614557
N-(2-bromo-6-chloro-4-fluorophenyl)-4-oxopentanamide
CID 107612048
3-chloro-N-(2,6-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide
CID 83079158
N-(2,6-dibromo-4-methylphenyl)-2,2-dimethylpropanamide
CID 60629516
N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 107470648
(2R)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide
CID 107611929
N-(2-bromo-6-chloro-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 103874009

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-2,2-dimethylpropanamide (CID 107612461) is N-(2-bromo-6-chloro-4-fluorophenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-2,2-dimethylpropanamide?
The InChIKey is AFYQTLRXRJMGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClFNO/c1-11(2,3)10(16)15-9-7(12)4-6(14)5-8(9)13/h4-5H,1-3H3,(H,15,16).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-2,2-dimethylpropanamide?
N-(2-bromo-6-chloro-4-fluorophenyl)-2,2-dimethylpropanamide has a molecular weight of 308.58 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 107612461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).