N-[2,4-dichloro-6-(trifluoromethyl)phenyl]acetamide

C9H6Cl2F3NO — CID 166487924

IUPACN-[2,4-dichloro-6-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1c(Cl)cc(Cl)cc1C(F)(F)F
InChIInChI=1S/C9H6Cl2F3NO/c1-4(16)15-8-6(9(12,13)14)2-5(10)3-7(8)11/h2-3H,1H3,(H,15,16)
InChIKeyQCSHERRPGYHVMB-UHFFFAOYSA-N
MW272.05 g/mol
LogP3.97
Rot. Bonds1

About N-[2,4-dichloro-6-(trifluoromethyl)phenyl]acetamide

N-[2,4-dichloro-6-(trifluoromethyl)phenyl]acetamide (PubChem CID 166487924) has the molecular formula C9H6Cl2F3NO and a molecular weight of 272.05 g/mol. Its IUPAC name is N-[2,4-dichloro-6-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2,4-dichloro-6-(trifluoromethyl)phenyl]acetamide
PubChem CID166487924
Molecular FormulaC9H6Cl2F3NO
Molecular Weight272.05 g/mol
Exact Mass270.98
IUPAC NameN-[2,4-dichloro-6-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1c(Cl)cc(Cl)cc1C(F)(F)F
InChIInChI=1S/C9H6Cl2F3NO/c1-4(16)15-8-6(9(12,13)14)2-5(10)3-7(8)11/h2-3H,1H3,(H,15,16)
InChIKeyQCSHERRPGYHVMB-UHFFFAOYSA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.05
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[2,4-dichloro-6-(trifluoromethyl)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-[2,6-dimethyl-3,5-bis(trifluoromethyl)phenyl]acetamide
CID 4737648
N-(2,4-ditert-butyl-6-chlorophenyl)acetamide
CID 12858544
3,3,3-trifluoro-2-methyl-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide
CID 71672117
N-[4-bromo-2-fluoro-6-(trifluoromethyl)phenyl]acetamide
CID 19810893
1,5-dichloro-2-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzene
CID 174837758
2-chloro-3,3,3-trifluoro-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide
CID 71672617
N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]acetamide
CID 134828491
N-(4-chloro-2,6-dimethylphenyl)acetamide;ethane
CID 156737682
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 78811709
N-[(2R)-1-[3-chloro-4-(methylamino)-5-(trifluoromethyl)phenyl]-3-oxobutan-2-yl]acetamide
CID 162581370
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(2,4,6-trichlorophenyl)nonanamide
CID 2748510
3-chloro-2,2-dimethyl-N-(2,4,6-trichlorophenyl)propanamide
CID 63679954

Frequently Asked Questions

What is the IUPAC name of N-[2,4-dichloro-6-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2,4-dichloro-6-(trifluoromethyl)phenyl]acetamide (CID 166487924) is N-[2,4-dichloro-6-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2,4-dichloro-6-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2,4-dichloro-6-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1c(Cl)cc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[2,4-dichloro-6-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QCSHERRPGYHVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2F3NO/c1-4(16)15-8-6(9(12,13)14)2-5(10)3-7(8)11/h2-3H,1H3,(H,15,16).
What are the key properties of N-[2,4-dichloro-6-(trifluoromethyl)phenyl]acetamide?
N-[2,4-dichloro-6-(trifluoromethyl)phenyl]acetamide has a molecular weight of 272.05 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dichloro-6-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 166487924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).