N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(methylamino)acetamide

C10H10ClF3N2O — CID 2452155

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H10ClF3N2O/c1-15-5-9(17)16-6-2-3-8(11)7(4-6)10(12,13)14/h2-4,15H,5H2,1H3,(H,16,17)
InChIKeySNNBVGRDRGGJFH-UHFFFAOYSA-N
MW266.65 g/mol
LogP2.52
Rot. Bonds3

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(methylamino)acetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(methylamino)acetamide (PubChem CID 2452155) has the molecular formula C10H10ClF3N2O and a molecular weight of 266.65 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(methylamino)acetamide
PubChem CID2452155
Molecular FormulaC10H10ClF3N2O
Molecular Weight266.65 g/mol
Exact Mass266.04
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H10ClF3N2O/c1-15-5-9(17)16-6-2-3-8(11)7(4-6)10(12,13)14/h2-4,15H,5H2,1H3,(H,16,17)
InChIKeySNNBVGRDRGGJFH-UHFFFAOYSA-N
XLogP2.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(methylamino)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-[4-chloro-3-(trifluoromethyl)phenyl]-2-(methylamino)acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(methylamino)acetamide (CID 2452155) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(methylamino)acetamide is CNCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(methylamino)acetamide?
The InChIKey is SNNBVGRDRGGJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O/c1-15-5-9(17)16-6-2-3-8(11)7(4-6)10(12,13)14/h2-4,15H,5H2,1H3,(H,16,17).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(methylamino)acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(methylamino)acetamide has a molecular weight of 266.65 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(methylamino)acetamide is sourced from PubChem (CID 2452155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).