4-bromo-N-propyl-3-(trifluoromethyl)benzamide

C11H11BrF3NO — CID 81425842

IUPAC4-bromo-N-propyl-3-(trifluoromethyl)benzamide
SMILESCCCNC(=O)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C11H11BrF3NO/c1-2-5-16-10(17)7-3-4-9(12)8(6-7)11(13,14)15/h3-4,6H,2,5H2,1H3,(H,16,17)
InChIKeyFUTAOUDSIRRMMJ-UHFFFAOYSA-N
MW310.11 g/mol
LogP3.61
Rot. Bonds3

About 4-bromo-N-propyl-3-(trifluoromethyl)benzamide

4-bromo-N-propyl-3-(trifluoromethyl)benzamide (PubChem CID 81425842) has the molecular formula C11H11BrF3NO and a molecular weight of 310.11 g/mol. Its IUPAC name is 4-bromo-N-propyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-propyl-3-(trifluoromethyl)benzamide
PubChem CID81425842
Molecular FormulaC11H11BrF3NO
Molecular Weight310.11 g/mol
Exact Mass309.00
IUPAC Name4-bromo-N-propyl-3-(trifluoromethyl)benzamide
SMILESCCCNC(=O)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C11H11BrF3NO/c1-2-5-16-10(17)7-3-4-9(12)8(6-7)11(13,14)15/h3-4,6H,2,5H2,1H3,(H,16,17)
InChIKeyFUTAOUDSIRRMMJ-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)benzamide
CID 81433410
4-bromo-N-(2-ethoxyethyl)-3-(trifluoromethyl)benzamide
CID 81433232
4-bromo-N-(4-bromobutyl)-3-(trifluoromethyl)benzamide
CID 106845802
4-(ethylamino)-N-propyl-3-(trifluoromethyl)benzamide
CID 62171618
N-(4-amino-4-oxobutyl)-4-bromo-3-(trifluoromethyl)benzamide
CID 81449301
N-[2-(2-amino-2-oxoethoxy)ethyl]-4-bromo-3-(trifluoromethyl)benzamide
CID 103819837
4-bromo-N-but-2-ynyl-3-(trifluoromethyl)benzamide
CID 115866905
4-bromo-N-(3-chloro-4-methoxybutyl)-3-(trifluoromethyl)benzamide
CID 106243738
4-bromo-N-[3-(2-chloroethoxy)propyl]-3-(trifluoromethyl)benzamide
CID 106306628
4-bromo-N-(1-methylcyclopropyl)-3-(trifluoromethyl)benzamide
CID 113264596
4-bromo-N-[3-(bromomethyl)pentan-3-yl]-3-(trifluoromethyl)benzamide
CID 114315241
4-bromo-N-[1-chloro-2-(chloromethyl)butan-2-yl]-3-(trifluoromethyl)benzamide
CID 107867621

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-propyl-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-bromo-N-propyl-3-(trifluoromethyl)benzamide (CID 81425842) is 4-bromo-N-propyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-bromo-N-propyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-bromo-N-propyl-3-(trifluoromethyl)benzamide is CCCNC(=O)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 4-bromo-N-propyl-3-(trifluoromethyl)benzamide?
The InChIKey is FUTAOUDSIRRMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO/c1-2-5-16-10(17)7-3-4-9(12)8(6-7)11(13,14)15/h3-4,6H,2,5H2,1H3,(H,16,17).
What are the key properties of 4-bromo-N-propyl-3-(trifluoromethyl)benzamide?
4-bromo-N-propyl-3-(trifluoromethyl)benzamide has a molecular weight of 310.11 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-propyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 81425842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).