N-[1-(4-bromo-2-fluorophenyl)ethyl]acetamide

C10H11BrFNO — CID 86244128

IUPACN-[1-(4-bromo-2-fluorophenyl)ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(Br)cc1F
InChIInChI=1S/C10H11BrFNO/c1-6(13-7(2)14)9-4-3-8(11)5-10(9)12/h3-6H,1-2H3,(H,13,14)
InChIKeyIYBMVIGHDCCDFF-UHFFFAOYSA-N
MW260.11 g/mol
LogP2.79
Rot. Bonds2

About N-[1-(4-bromo-2-fluorophenyl)ethyl]acetamide

N-[1-(4-bromo-2-fluorophenyl)ethyl]acetamide (PubChem CID 86244128) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is N-[1-(4-bromo-2-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-bromo-2-fluorophenyl)ethyl]acetamide
PubChem CID86244128
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC NameN-[1-(4-bromo-2-fluorophenyl)ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(Br)cc1F
InChIInChI=1S/C10H11BrFNO/c1-6(13-7(2)14)9-4-3-8(11)5-10(9)12/h3-6H,1-2H3,(H,13,14)
InChIKeyIYBMVIGHDCCDFF-UHFFFAOYSA-N
XLogP2.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(4-bromo-2-fluorophenyl)ethyl]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

(2S)-2-{[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino}-N-(cyanomethyl)-4-methylpentanamide
CID 10237771
N-(1-(2-bromophenyl)ethyl)-2-chloroacetamide
CID 3678007
N2-[1-(4-bromophenyl)-2,2,2-trifluoroethyl]-N-(cyanomethyl)-L-leucinamide
CID 10287617
N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloro-1,3-dimethylcyclobutane-1-carboxamide
CID 23550321
N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloro-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide
CID 23550323
N-[(1R)-1-(4-bromophenyl)ethyl]-1,3,3-trichlorocyclobutane-1-carboxamide
CID 54457761
N-Benzyl-2-(4-bromo-phenyl)-acetamide
CID 670038
N-(1-phenylethyl)acetamide
CID 222023
N-(2-bromobenzyl)acetamide
CID 2824953
(R)-N-acetyl-1-phenylethylamine
CID 735802
N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-dichloro-3-methylcyclobutane-1-carboxamide
CID 76322794
N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloro-1-ethyl-3-methylcyclobutane-1-carboxamide
CID 76322795

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-2-fluorophenyl)ethyl]acetamide?
The IUPAC name of N-[1-(4-bromo-2-fluorophenyl)ethyl]acetamide (CID 86244128) is N-[1-(4-bromo-2-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for N-[1-(4-bromo-2-fluorophenyl)ethyl]acetamide?
The canonical SMILES for N-[1-(4-bromo-2-fluorophenyl)ethyl]acetamide is CC(=O)NC(C)c1ccc(Br)cc1F.
What is the InChIKey of N-[1-(4-bromo-2-fluorophenyl)ethyl]acetamide?
The InChIKey is IYBMVIGHDCCDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO/c1-6(13-7(2)14)9-4-3-8(11)5-10(9)12/h3-6H,1-2H3,(H,13,14).
What are the key properties of N-[1-(4-bromo-2-fluorophenyl)ethyl]acetamide?
N-[1-(4-bromo-2-fluorophenyl)ethyl]acetamide has a molecular weight of 260.11 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-2-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 86244128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).