N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]propanamide

C11H11BrF3NO — CID 67238002

IUPACN-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCCC(=O)NCc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C11H11BrF3NO/c1-2-10(17)16-6-7-3-4-8(12)5-9(7)11(13,14)15/h3-5H,2,6H2,1H3,(H,16,17)
InChIKeyGUKUQXPRHCQUEZ-UHFFFAOYSA-N
MW310.11 g/mol
LogP3.49
Rot. Bonds3

About N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]propanamide

N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 67238002) has the molecular formula C11H11BrF3NO and a molecular weight of 310.11 g/mol. Its IUPAC name is N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID67238002
Molecular FormulaC11H11BrF3NO
Molecular Weight310.11 g/mol
Exact Mass309.00
IUPAC NameN-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCCC(=O)NCc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C11H11BrF3NO/c1-2-10(17)16-6-7-3-4-8(12)5-9(7)11(13,14)15/h3-5H,2,6H2,1H3,(H,16,17)
InChIKeyGUKUQXPRHCQUEZ-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 2824953
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Acetamide, N-(p-bromobenzyl)-2-fluoro-
CID 198020
N-[3-(3-bromophenyl)propyl]propanamide
CID 10563944
N-[3-(3-bromophenyl)propyl]butanamide
CID 10589086
N-[3-(3-bromophenyl)propyl]acetamide
CID 10682476
8-Bromo-4-fluoro-2,3,4,5-tetrahydro-1H-benzo[c]azepine
CID 10933703
N-(4-Bromobenzyl)Acrylamide
CID 57251115
N-(3-bromobenzyl)-2,2-dimethylbutanamide
CID 62679367
N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide
CID 556297
N-(4-Bromophenethyl)-2,2,2-trifluoroacetamide
CID 1518036
N-[1-(3-bromophenyl)propyl]acetamide
CID 2834229

Frequently Asked Questions

What is the IUPAC name of N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]propanamide (CID 67238002) is N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]propanamide is CCC(=O)NCc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is GUKUQXPRHCQUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO/c1-2-10(17)16-6-7-3-4-8(12)5-9(7)11(13,14)15/h3-5H,2,6H2,1H3,(H,16,17).
What are the key properties of N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]propanamide?
N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 310.11 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 67238002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).