N-(2-bromo-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C11H8BrF6NO — CID 103309991

IUPACN-(2-bromo-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCc1ccc(Br)c(NC(=O)C(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C11H8BrF6NO/c1-5-2-3-6(12)7(4-5)19-9(20)8(10(13,14)15)11(16,17)18/h2-4,8H,1H3,(H,19,20)
InChIKeyWGQXGCWUWPEAGX-UHFFFAOYSA-N
MW364.08 g/mol
LogP4.44
Rot. Bonds2

About N-(2-bromo-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

N-(2-bromo-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 103309991) has the molecular formula C11H8BrF6NO and a molecular weight of 364.08 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID103309991
Molecular FormulaC11H8BrF6NO
Molecular Weight364.08 g/mol
Exact Mass362.97
IUPAC NameN-(2-bromo-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCc1ccc(Br)c(NC(=O)C(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C11H8BrF6NO/c1-5-2-3-6(12)7(4-5)19-9(20)8(10(13,14)15)11(16,17)18/h2-4,8H,1H3,(H,19,20)
InChIKeyWGQXGCWUWPEAGX-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.08
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-amino-N-(2-bromo-5-methylphenyl)propanamide
CID 82757390
4-(2-bromo-5-methylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103499045
1-(2-bromo-5-methylphenyl)-3-propan-2-ylurea
CID 82706454
N-(2-bromo-5-methylphenyl)-2-cyanopropanamide
CID 82757747
(2-bromo-5-methylphenyl)urea
CID 82707313
N-(2-bromo-5-methylphenyl)-2-methylpentanamide
CID 82706265
N-(2-bromo-5-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 103430310
ethyl 2-[(2-bromo-5-methylphenyl)carbamoyl]-3,3-dimethylbutanoate
CID 116538239
1-(2-bromo-5-methylphenyl)-3-phenylurea
CID 82707314
3-(2-bromo-5-methylanilino)-3-oxopropanoic acid
CID 82758877
2-[(2-bromo-5-methylphenyl)carbamoylamino]acetic acid
CID 82767167
N-(2-bromo-5-methylphenyl)-2,2-dimethylbutanamide
CID 82706728

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 103309991) is N-(2-bromo-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is Cc1ccc(Br)c(NC(=O)C(C(F)(F)F)C(F)(F)F)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is WGQXGCWUWPEAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF6NO/c1-5-2-3-6(12)7(4-5)19-9(20)8(10(13,14)15)11(16,17)18/h2-4,8H,1H3,(H,19,20).
What are the key properties of N-(2-bromo-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-(2-bromo-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 364.08 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103309991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).