N-(2-bromo-6-chloro-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C10H4BrClF7NO — CID 107612455

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESO=C(Nc1c(Cl)cc(F)cc1Br)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H4BrClF7NO/c11-4-1-3(13)2-5(12)6(4)20-8(21)7(9(14,15)16)10(17,18)19/h1-2,7H,(H,20,21)
InChIKeyCFZJIFAPHBUNHL-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.92
Rot. Bonds2

About N-(2-bromo-6-chloro-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

N-(2-bromo-6-chloro-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 107612455) has the molecular formula C10H4BrClF7NO and a molecular weight of 402.49 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID107612455
Molecular FormulaC10H4BrClF7NO
Molecular Weight402.49 g/mol
Exact Mass400.91
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESO=C(Nc1c(Cl)cc(F)cc1Br)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H4BrClF7NO/c11-4-1-3(13)2-5(12)6(4)20-8(21)7(9(14,15)16)10(17,18)19/h1-2,7H,(H,20,21)
InChIKeyCFZJIFAPHBUNHL-UHFFFAOYSA-N
XLogP4.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-6-chloro-4-fluorophenyl)-2,2-dimethylpropanamide
CID 107612461
(2S)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-phenylacetamide
CID 107611897
(2R)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide
CID 107611929
2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropanamide
CID 107611878
4-amino-5-(2-bromo-6-chloro-4-fluoroanilino)-5-oxopentanoic acid
CID 107611890
3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-hydroxyimino-2-methylpropanamide
CID 107615200
N-(2-bromo-6-chloro-4-fluorophenyl)prop-2-ynamide
CID 107612535
(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
4-(2-bromo-6-chloro-4-fluoroanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 107609248
2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 107614486
(2S)-3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107841613

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 107612455) is N-(2-bromo-6-chloro-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is O=C(Nc1c(Cl)cc(F)cc1Br)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is CFZJIFAPHBUNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrClF7NO/c11-4-1-3(13)2-5(12)6(4)20-8(21)7(9(14,15)16)10(17,18)19/h1-2,7H,(H,20,21).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-(2-bromo-6-chloro-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 402.49 g/mol, XLogP of 4.92, 2 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)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 107612455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).