N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chloro-2-methylpropanamide

C11H10BrClF3NO — CID 62727569

IUPACN-[4-bromo-3-(trifluoromethyl)phenyl]-3-chloro-2-methylpropanamide
SMILESCC(CCl)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C11H10BrClF3NO/c1-6(5-13)10(18)17-7-2-3-9(12)8(4-7)11(14,15)16/h2-4,6H,5H2,1H3,(H,17,18)
InChIKeyHEOFEKZNEZPXPR-UHFFFAOYSA-N
MW344.56 g/mol
LogP4.28
Rot. Bonds3

About N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chloro-2-methylpropanamide

N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chloro-2-methylpropanamide (PubChem CID 62727569) has the molecular formula C11H10BrClF3NO and a molecular weight of 344.56 g/mol. Its IUPAC name is N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chloro-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-bromo-3-(trifluoromethyl)phenyl]-3-chloro-2-methylpropanamide
PubChem CID62727569
Molecular FormulaC11H10BrClF3NO
Molecular Weight344.56 g/mol
Exact Mass342.96
IUPAC NameN-[4-bromo-3-(trifluoromethyl)phenyl]-3-chloro-2-methylpropanamide
SMILESCC(CCl)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C11H10BrClF3NO/c1-6(5-13)10(18)17-7-2-3-9(12)8(4-7)11(14,15)16/h2-4,6H,5H2,1H3,(H,17,18)
InChIKeyHEOFEKZNEZPXPR-UHFFFAOYSA-N
XLogP4.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.56
LogP ≤ 54.28
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

N-[4-bromo-3-(trifluoromethyl)phenyl]-3-(ethylamino)-2-methylpropanamide
CID 62852165
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylsulfanylpropanamide
CID 43077513
2-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-sulfanylpropanamide
CID 107769620
2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-methoxypropanamide
CID 81083146
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 110890752
2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]butanediamide;hydrochloride
CID 119955848
2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 79809856
(2R)-2-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid
CID 79001303
N-(3-bromo-4-nitrophenyl)-3-chloro-2-methylpropanamide
CID 82864604
methyl 2-[4-bromo-3-(trifluoromethyl)anilino]-2-oxoacetate
CID 112617350
3-chloro-2-methyl-N-[4-(2-methylpropanoylamino)phenyl]propanamide
CID 55111079
(2S)-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-hydroxy-3-(4-methylphenoxy)propanamide
CID 142885782

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chloro-2-methylpropanamide?
The IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chloro-2-methylpropanamide (CID 62727569) is N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chloro-2-methylpropanamide.
What is the SMILES notation for N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chloro-2-methylpropanamide?
The canonical SMILES for N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chloro-2-methylpropanamide is CC(CCl)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chloro-2-methylpropanamide?
The InChIKey is HEOFEKZNEZPXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClF3NO/c1-6(5-13)10(18)17-7-2-3-9(12)8(4-7)11(14,15)16/h2-4,6H,5H2,1H3,(H,17,18).
What are the key properties of N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chloro-2-methylpropanamide?
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chloro-2-methylpropanamide has a molecular weight of 344.56 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chloro-2-methylpropanamide is sourced from PubChem (CID 62727569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).