2-bromo-4-[(3R)-3-methyl-3-(trifluoromethyl)pentanoyl]benzamide

C14H15BrF3NO2 — CID 162589895

IUPAC2-bromo-4-[(3R)-3-methyl-3-(trifluoromethyl)pentanoyl]benzamide
SMILESCC[C@](C)(CC(=O)c1ccc(C(N)=O)c(Br)c1)C(F)(F)F
InChIInChI=1S/C14H15BrF3NO2/c1-3-13(2,14(16,17)18)7-11(20)8-4-5-9(12(19)21)10(15)6-8/h4-6H,3,7H2,1-2H3,(H2,19,21)/t13-/m1/s1
InChIKeyWZPWQPUWIVEMKL-CYBMUJFWSA-N
MW366.18 g/mol
LogP4.10
Rot. Bonds5

About 2-bromo-4-[(3R)-3-methyl-3-(trifluoromethyl)pentanoyl]benzamide

2-bromo-4-[(3R)-3-methyl-3-(trifluoromethyl)pentanoyl]benzamide (PubChem CID 162589895) has the molecular formula C14H15BrF3NO2 and a molecular weight of 366.18 g/mol. Its IUPAC name is 2-bromo-4-[(3R)-3-methyl-3-(trifluoromethyl)pentanoyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-[(3R)-3-methyl-3-(trifluoromethyl)pentanoyl]benzamide
PubChem CID162589895
Molecular FormulaC14H15BrF3NO2
Molecular Weight366.18 g/mol
Exact Mass365.02
IUPAC Name2-bromo-4-[(3R)-3-methyl-3-(trifluoromethyl)pentanoyl]benzamide
SMILESCC[C@](C)(CC(=O)c1ccc(C(N)=O)c(Br)c1)C(F)(F)F
InChIInChI=1S/C14H15BrF3NO2/c1-3-13(2,14(16,17)18)7-11(20)8-4-5-9(12(19)21)10(15)6-8/h4-6H,3,7H2,1-2H3,(H2,19,21)/t13-/m1/s1
InChIKeyWZPWQPUWIVEMKL-CYBMUJFWSA-N
XLogP4.10
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.18
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-amino-3-bromophenyl)-4,4,4-trifluoro-3-methyl-3-(nitrosomethyl)butan-1-one
CID 123745464
2-bromo-4-hydroxybenzamide
CID 103693582
4-(3-bromo-4-carbamoylanilino)benzoic acid
CID 107275335
1-[3-bromo-4-(2-methoxyethoxy)phenyl]-3,3-dimethylbutan-1-one
CID 113438033
methyl 2-bromo-4-(3-bromopropanoyl)benzoate
CID 134648648
1-[4-bromo-3-(trifluoromethylsulfanyl)phenyl]propan-1-one
CID 134615569
3-(3-bromo-4-carbamoylanilino)propanoic acid
CID 107275324
ethyl 3-(2-bromo-4-methylphenyl)-2,2-dimethyl-3-oxopropanoate
CID 114015451
ethyl 4-acetyl-3-bromobenzoate
CID 70257309
4-(3-bromo-4-carbamoylanilino)-2-methylbutanoic acid
CID 107275586
2-bromo-N-(3-carbamothioylpentan-3-yl)-4-fluorobenzamide
CID 61120812
1-[3-bromo-4-(trifluoromethylsulfanyl)phenyl]-3-chloropropan-1-one
CID 134615533

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(3R)-3-methyl-3-(trifluoromethyl)pentanoyl]benzamide?
The IUPAC name of 2-bromo-4-[(3R)-3-methyl-3-(trifluoromethyl)pentanoyl]benzamide (CID 162589895) is 2-bromo-4-[(3R)-3-methyl-3-(trifluoromethyl)pentanoyl]benzamide.
What is the SMILES notation for 2-bromo-4-[(3R)-3-methyl-3-(trifluoromethyl)pentanoyl]benzamide?
The canonical SMILES for 2-bromo-4-[(3R)-3-methyl-3-(trifluoromethyl)pentanoyl]benzamide is CC[C@](C)(CC(=O)c1ccc(C(N)=O)c(Br)c1)C(F)(F)F.
What is the InChIKey of 2-bromo-4-[(3R)-3-methyl-3-(trifluoromethyl)pentanoyl]benzamide?
The InChIKey is WZPWQPUWIVEMKL-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H15BrF3NO2/c1-3-13(2,14(16,17)18)7-11(20)8-4-5-9(12(19)21)10(15)6-8/h4-6H,3,7H2,1-2H3,(H2,19,21)/t13-/m1/s1.
What are the key properties of 2-bromo-4-[(3R)-3-methyl-3-(trifluoromethyl)pentanoyl]benzamide?
2-bromo-4-[(3R)-3-methyl-3-(trifluoromethyl)pentanoyl]benzamide has a molecular weight of 366.18 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(3R)-3-methyl-3-(trifluoromethyl)pentanoyl]benzamide is sourced from PubChem (CID 162589895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).