2-bromo-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzamide

C12H12BrF4NO — CID 60757036

IUPAC2-bromo-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCCN(CC(F)(F)F)C(=O)c1cc(F)ccc1Br
InChIInChI=1S/C12H12BrF4NO/c1-2-5-18(7-12(15,16)17)11(19)9-6-8(14)3-4-10(9)13/h3-4,6H,2,5,7H2,1H3
InChIKeyDXQAKJZICUARPJ-UHFFFAOYSA-N
MW342.13 g/mol
LogP4.00
Rot. Bonds4

About 2-bromo-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzamide

2-bromo-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 60757036) has the molecular formula C12H12BrF4NO and a molecular weight of 342.13 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID60757036
Molecular FormulaC12H12BrF4NO
Molecular Weight342.13 g/mol
Exact Mass341.00
IUPAC Name2-bromo-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCCN(CC(F)(F)F)C(=O)c1cc(F)ccc1Br
InChIInChI=1S/C12H12BrF4NO/c1-2-5-18(7-12(15,16)17)11(19)9-6-8(14)3-4-10(9)13/h3-4,6H,2,5,7H2,1H3
InChIKeyDXQAKJZICUARPJ-UHFFFAOYSA-N
XLogP4.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.13
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-bromo-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-bromo-5-fluoro-N-propylbenzamide
CID 79668083
2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-propylbenzamide
CID 60669039
2,5-dibromo-N-butyl-N-(2,2,2-trifluoroethyl)benzamide
CID 114371542
2-bromo-5-fluoro-N,N-bis(2-hydroxyethyl)benzamide
CID 60955626
2-bromo-N-(2-chloroethyl)-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492061
2-fluoro-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 79786127
2-bromo-N-cyclopropyl-5-fluoro-N-propylbenzamide
CID 43270647
2-bromo-5-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 113351071
N-(2-aminoethyl)-5-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107493495
2-bromo-5-fluoro-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbenzamide
CID 134008468
2-bromo-5-chloro-N,N-dipropylbenzamide
CID 78849542
N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxy-N-propylbenzamide
CID 115299448

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzamide (CID 60757036) is 2-bromo-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzamide is CCCN(CC(F)(F)F)C(=O)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is DXQAKJZICUARPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF4NO/c1-2-5-18(7-12(15,16)17)11(19)9-6-8(14)3-4-10(9)13/h3-4,6H,2,5,7H2,1H3.
What are the key properties of 2-bromo-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzamide?
2-bromo-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 342.13 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 60757036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).