N-[1-(4-bromo-2-chlorophenyl)-2,2-difluoroethyl]acetamide

C10H9BrClF2NO — CID 166131118

IUPACN-[1-(4-bromo-2-chlorophenyl)-2,2-difluoroethyl]acetamide
SMILESCC(=O)NC(c1ccc(Br)cc1Cl)C(F)F
InChIInChI=1S/C10H9BrClF2NO/c1-5(16)15-9(10(13)14)7-3-2-6(11)4-8(7)12/h2-4,9-10H,1H3,(H,15,16)
InChIKeyBDMFLITVRNIWLS-UHFFFAOYSA-N
MW312.54 g/mol
LogP3.54
Rot. Bonds3

About N-[1-(4-bromo-2-chlorophenyl)-2,2-difluoroethyl]acetamide

N-[1-(4-bromo-2-chlorophenyl)-2,2-difluoroethyl]acetamide (PubChem CID 166131118) has the molecular formula C10H9BrClF2NO and a molecular weight of 312.54 g/mol. Its IUPAC name is N-[1-(4-bromo-2-chlorophenyl)-2,2-difluoroethyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-bromo-2-chlorophenyl)-2,2-difluoroethyl]acetamide
PubChem CID166131118
Molecular FormulaC10H9BrClF2NO
Molecular Weight312.54 g/mol
Exact Mass310.95
IUPAC NameN-[1-(4-bromo-2-chlorophenyl)-2,2-difluoroethyl]acetamide
SMILESCC(=O)NC(c1ccc(Br)cc1Cl)C(F)F
InChIInChI=1S/C10H9BrClF2NO/c1-5(16)15-9(10(13)14)7-3-2-6(11)4-8(7)12/h2-4,9-10H,1H3,(H,15,16)
InChIKeyBDMFLITVRNIWLS-UHFFFAOYSA-N
XLogP3.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.54
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(4-bromo-2-chlorophenyl)-2,2-difluoroethyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-2-chlorophenyl)-2,2-difluoroethyl]acetamide?
The IUPAC name of N-[1-(4-bromo-2-chlorophenyl)-2,2-difluoroethyl]acetamide (CID 166131118) is N-[1-(4-bromo-2-chlorophenyl)-2,2-difluoroethyl]acetamide.
What is the SMILES notation for N-[1-(4-bromo-2-chlorophenyl)-2,2-difluoroethyl]acetamide?
The canonical SMILES for N-[1-(4-bromo-2-chlorophenyl)-2,2-difluoroethyl]acetamide is CC(=O)NC(c1ccc(Br)cc1Cl)C(F)F.
What is the InChIKey of N-[1-(4-bromo-2-chlorophenyl)-2,2-difluoroethyl]acetamide?
The InChIKey is BDMFLITVRNIWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClF2NO/c1-5(16)15-9(10(13)14)7-3-2-6(11)4-8(7)12/h2-4,9-10H,1H3,(H,15,16).
What are the key properties of N-[1-(4-bromo-2-chlorophenyl)-2,2-difluoroethyl]acetamide?
N-[1-(4-bromo-2-chlorophenyl)-2,2-difluoroethyl]acetamide has a molecular weight of 312.54 g/mol, XLogP of 3.54, 3 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-chlorophenyl)-2,2-difluoroethyl]acetamide is sourced from PubChem (CID 166131118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).