4-bromo-N-(2-but-3-enoxyethyl)-2-(trifluoromethyl)benzamide

C14H15BrF3NO2 — CID 103925091

IUPAC4-bromo-N-(2-but-3-enoxyethyl)-2-(trifluoromethyl)benzamide
SMILESC=CCCOCCNC(=O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H15BrF3NO2/c1-2-3-7-21-8-6-19-13(20)11-5-4-10(15)9-12(11)14(16,17)18/h2,4-5,9H,1,3,6-8H2,(H,19,20)
InChIKeySTVGZWMCCVJKCH-UHFFFAOYSA-N
MW366.18 g/mol
LogP3.79
Rot. Bonds7

About 4-bromo-N-(2-but-3-enoxyethyl)-2-(trifluoromethyl)benzamide

4-bromo-N-(2-but-3-enoxyethyl)-2-(trifluoromethyl)benzamide (PubChem CID 103925091) has the molecular formula C14H15BrF3NO2 and a molecular weight of 366.18 g/mol. Its IUPAC name is 4-bromo-N-(2-but-3-enoxyethyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2-but-3-enoxyethyl)-2-(trifluoromethyl)benzamide
PubChem CID103925091
Molecular FormulaC14H15BrF3NO2
Molecular Weight366.18 g/mol
Exact Mass365.02
IUPAC Name4-bromo-N-(2-but-3-enoxyethyl)-2-(trifluoromethyl)benzamide
SMILESC=CCCOCCNC(=O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H15BrF3NO2/c1-2-3-7-21-8-6-19-13(20)11-5-4-10(15)9-12(11)14(16,17)18/h2,4-5,9H,1,3,6-8H2,(H,19,20)
InChIKeySTVGZWMCCVJKCH-UHFFFAOYSA-N
XLogP3.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.18
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(2-but-3-enoxyethyl)-2-hydroxybenzamide
CID 103857022
2-amino-4-bromo-N-(2-but-3-enoxyethyl)benzamide
CID 102978755
5-bromo-N-(2-but-3-enoxyethyl)-2-methylbenzamide
CID 103855682
4-bromo-N-(2-iodoethyl)-2-(trifluoromethyl)benzamide
CID 107333591
4-(2-but-3-enoxyethylcarbamoyl)-3-fluorobenzoic acid
CID 120695948
4-bromo-N-(2-methylsulfanylethyl)-2-(trifluoromethyl)benzamide
CID 113352612
4-bromo-N-(6-hydroxyhexyl)-2-(trifluoromethyl)benzamide
CID 103925383
4-bromo-N-[2-(ethylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 107333120
4-bromo-N-(2-ethylsulfinylethyl)-2-(trifluoromethyl)benzamide
CID 103925011
2-amino-N-(2-but-3-enoxyethyl)-5-hydroxybenzamide
CID 114182874
N-(3-aminobutyl)-4-bromo-2-(trifluoromethyl)benzamide
CID 107333127
5-amino-N-(2-but-3-enoxyethyl)-2-chlorobenzamide
CID 106391871

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-but-3-enoxyethyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-bromo-N-(2-but-3-enoxyethyl)-2-(trifluoromethyl)benzamide (CID 103925091) is 4-bromo-N-(2-but-3-enoxyethyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(2-but-3-enoxyethyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-bromo-N-(2-but-3-enoxyethyl)-2-(trifluoromethyl)benzamide is C=CCCOCCNC(=O)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 4-bromo-N-(2-but-3-enoxyethyl)-2-(trifluoromethyl)benzamide?
The InChIKey is STVGZWMCCVJKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF3NO2/c1-2-3-7-21-8-6-19-13(20)11-5-4-10(15)9-12(11)14(16,17)18/h2,4-5,9H,1,3,6-8H2,(H,19,20).
What are the key properties of 4-bromo-N-(2-but-3-enoxyethyl)-2-(trifluoromethyl)benzamide?
4-bromo-N-(2-but-3-enoxyethyl)-2-(trifluoromethyl)benzamide has a molecular weight of 366.18 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-but-3-enoxyethyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 103925091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).