2-[1-(2-bromophenyl)ethyl-propylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

C16H21BrF3N3O2 — CID 60505919

IUPAC2-[1-(2-bromophenyl)ethyl-propylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESCCCN(CC(=O)NC(=O)NCC(F)(F)F)C(C)c1ccccc1Br
InChIInChI=1S/C16H21BrF3N3O2/c1-3-8-23(11(2)12-6-4-5-7-13(12)17)9-14(24)22-15(25)21-10-16(18,19)20/h4-7,11H,3,8-10H2,1-2H3,(H2,21,22,24,25)
InChIKeyWTLIZSNVLJPKMQ-UHFFFAOYSA-N
MW424.26 g/mol
LogP3.61
Rot. Bonds7

About 2-[1-(2-bromophenyl)ethyl-propylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

2-[1-(2-bromophenyl)ethyl-propylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (PubChem CID 60505919) has the molecular formula C16H21BrF3N3O2 and a molecular weight of 424.26 g/mol. Its IUPAC name is 2-[1-(2-bromophenyl)ethyl-propylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-bromophenyl)ethyl-propylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
PubChem CID60505919
Molecular FormulaC16H21BrF3N3O2
Molecular Weight424.26 g/mol
Exact Mass423.08
IUPAC Name2-[1-(2-bromophenyl)ethyl-propylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESCCCN(CC(=O)NC(=O)NCC(F)(F)F)C(C)c1ccccc1Br
InChIInChI=1S/C16H21BrF3N3O2/c1-3-8-23(11(2)12-6-4-5-7-13(12)17)9-14(24)22-15(25)21-10-16(18,19)20/h4-7,11H,3,8-10H2,1-2H3,(H2,21,22,24,25)
InChIKeyWTLIZSNVLJPKMQ-UHFFFAOYSA-N
XLogP3.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.26
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(2-bromophenyl)ethyl-propylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide 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

2-[1-(2-bromophenyl)ethyl-propylamino]-N-ethylacetamide
CID 60505772
2-[1-(2-bromophenyl)ethyl-propylamino]-N-(cyclopropylcarbamoyl)acetamide
CID 60505976
3-[1-(2-bromophenyl)ethyl-propylamino]-N-(methylcarbamoyl)propanamide
CID 60505858
2-[1-(2-bromophenyl)ethyl-propylamino]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 119036501
2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methyl-N-propylpropanamide
CID 114328209
2-[1-(2-bromophenyl)ethyl-propylamino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 60505775
N-[1-(2-bromophenyl)ethyl]-N-propylacetamide
CID 60778873
N-[1-(2-bromophenyl)ethyl]-2-methyl-2-(methylamino)-N-propylpropanamide
CID 62845983
2-[benzyl(2-methoxyethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 17415318
3-[[1-(2-bromophenyl)ethyl-propylamino]methyl]-N,N-dimethylbenzamide
CID 55988852
N-[1-(2-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914874
2-[1-(2-hydroxyphenyl)ethyl-propylamino]acetic acid
CID 65064982

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromophenyl)ethyl-propylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The IUPAC name of 2-[1-(2-bromophenyl)ethyl-propylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (CID 60505919) is 2-[1-(2-bromophenyl)ethyl-propylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[1-(2-bromophenyl)ethyl-propylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The canonical SMILES for 2-[1-(2-bromophenyl)ethyl-propylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is CCCN(CC(=O)NC(=O)NCC(F)(F)F)C(C)c1ccccc1Br.
What is the InChIKey of 2-[1-(2-bromophenyl)ethyl-propylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The InChIKey is WTLIZSNVLJPKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrF3N3O2/c1-3-8-23(11(2)12-6-4-5-7-13(12)17)9-14(24)22-15(25)21-10-16(18,19)20/h4-7,11H,3,8-10H2,1-2H3,(H2,21,22,24,25).
What are the key properties of 2-[1-(2-bromophenyl)ethyl-propylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
2-[1-(2-bromophenyl)ethyl-propylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide has a molecular weight of 424.26 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromophenyl)ethyl-propylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is sourced from PubChem (CID 60505919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).