4-bromo-N-prop-2-enyl-N-propyl-2-(trifluoromethyl)benzamide

C14H15BrF3NO — CID 107332937

IUPAC4-bromo-N-prop-2-enyl-N-propyl-2-(trifluoromethyl)benzamide
SMILESC=CCN(CCC)C(=O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H15BrF3NO/c1-3-7-19(8-4-2)13(20)11-6-5-10(15)9-12(11)14(16,17)18/h3,5-6,9H,1,4,7-8H2,2H3
InChIKeyKYJXXZQJDUOMSO-UHFFFAOYSA-N
MW350.18 g/mol
LogP4.51
Rot. Bonds5

About 4-bromo-N-prop-2-enyl-N-propyl-2-(trifluoromethyl)benzamide

4-bromo-N-prop-2-enyl-N-propyl-2-(trifluoromethyl)benzamide (PubChem CID 107332937) has the molecular formula C14H15BrF3NO and a molecular weight of 350.18 g/mol. Its IUPAC name is 4-bromo-N-prop-2-enyl-N-propyl-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-prop-2-enyl-N-propyl-2-(trifluoromethyl)benzamide
PubChem CID107332937
Molecular FormulaC14H15BrF3NO
Molecular Weight350.18 g/mol
Exact Mass349.03
IUPAC Name4-bromo-N-prop-2-enyl-N-propyl-2-(trifluoromethyl)benzamide
SMILESC=CCN(CCC)C(=O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H15BrF3NO/c1-3-7-19(8-4-2)13(20)11-6-5-10(15)9-12(11)14(16,17)18/h3,5-6,9H,1,4,7-8H2,2H3
InChIKeyKYJXXZQJDUOMSO-UHFFFAOYSA-N
XLogP4.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-prop-2-enyl-N-propyl-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-bromo-N-prop-2-enyl-N-propyl-2-(trifluoromethyl)benzamide (CID 107332937) is 4-bromo-N-prop-2-enyl-N-propyl-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-bromo-N-prop-2-enyl-N-propyl-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-bromo-N-prop-2-enyl-N-propyl-2-(trifluoromethyl)benzamide is C=CCN(CCC)C(=O)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 4-bromo-N-prop-2-enyl-N-propyl-2-(trifluoromethyl)benzamide?
The InChIKey is KYJXXZQJDUOMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF3NO/c1-3-7-19(8-4-2)13(20)11-6-5-10(15)9-12(11)14(16,17)18/h3,5-6,9H,1,4,7-8H2,2H3.
What are the key properties of 4-bromo-N-prop-2-enyl-N-propyl-2-(trifluoromethyl)benzamide?
4-bromo-N-prop-2-enyl-N-propyl-2-(trifluoromethyl)benzamide has a molecular weight of 350.18 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-prop-2-enyl-N-propyl-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 107332937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).