2-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]phenyl]acetamide

C16H16BrFN2O — CID 82964143

IUPAC2-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]phenyl]acetamide
SMILESCC(Nc1ccccc1CC(N)=O)c1cc(Br)ccc1F
InChIInChI=1S/C16H16BrFN2O/c1-10(13-9-12(17)6-7-14(13)18)20-15-5-3-2-4-11(15)8-16(19)21/h2-7,9-10,20H,8H2,1H3,(H2,19,21)
InChIKeyXBSQRDSHONIUKV-UHFFFAOYSA-N
MW351.22 g/mol
LogP3.79
Rot. Bonds5

About 2-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]phenyl]acetamide

2-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]phenyl]acetamide (PubChem CID 82964143) has the molecular formula C16H16BrFN2O and a molecular weight of 351.22 g/mol. Its IUPAC name is 2-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]phenyl]acetamide
PubChem CID82964143
Molecular FormulaC16H16BrFN2O
Molecular Weight351.22 g/mol
Exact Mass350.04
IUPAC Name2-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]phenyl]acetamide
SMILESCC(Nc1ccccc1CC(N)=O)c1cc(Br)ccc1F
InChIInChI=1S/C16H16BrFN2O/c1-10(13-9-12(17)6-7-14(13)18)20-15-5-3-2-4-11(15)8-16(19)21/h2-7,9-10,20H,8H2,1H3,(H2,19,21)
InChIKeyXBSQRDSHONIUKV-UHFFFAOYSA-N
XLogP3.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]phenyl]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

N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-iodoaniline
CID 82962732
5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline
CID 82963196
2-[2-[1-(2,4-dimethylphenyl)ethylamino]phenyl]acetamide
CID 43738545
2-[2-[1-(2,5-dimethylphenyl)ethylamino]phenyl]acetamide
CID 43738423
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline
CID 102849008
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoro-4-methylaniline
CID 82964740
2-[1-(5-bromo-2-fluorophenyl)ethylamino]acetic acid
CID 82964590
1-(5-bromo-2-fluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 81301866
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-methyl-3-nitroaniline
CID 82963677
2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-methylpropanamide
CID 81327934
2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 81302054
4-[1-(5-bromo-2-fluorophenyl)ethylamino]phenol
CID 82964843

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]phenyl]acetamide?
The IUPAC name of 2-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]phenyl]acetamide (CID 82964143) is 2-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]phenyl]acetamide.
What is the SMILES notation for 2-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]phenyl]acetamide?
The canonical SMILES for 2-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]phenyl]acetamide is CC(Nc1ccccc1CC(N)=O)c1cc(Br)ccc1F.
What is the InChIKey of 2-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]phenyl]acetamide?
The InChIKey is XBSQRDSHONIUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O/c1-10(13-9-12(17)6-7-14(13)18)20-15-5-3-2-4-11(15)8-16(19)21/h2-7,9-10,20H,8H2,1H3,(H2,19,21).
What are the key properties of 2-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]phenyl]acetamide?
2-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]phenyl]acetamide has a molecular weight of 351.22 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]phenyl]acetamide is sourced from PubChem (CID 82964143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).