2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide

C11H11ClF3NO2 — CID 698335

IUPAC2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1ccc(C(F)(F)F)cc1NC(=O)CCl
InChIInChI=1S/C11H11ClF3NO2/c1-2-18-9-4-3-7(11(13,14)15)5-8(9)16-10(17)6-12/h3-5H,2,6H2,1H3,(H,16,17)
InChIKeyJTJNUVXSBRMXJC-UHFFFAOYSA-N
MW281.66 g/mol
LogP3.28
Rot. Bonds4

About 2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide

2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 698335) has the molecular formula C11H11ClF3NO2 and a molecular weight of 281.66 g/mol. Its IUPAC name is 2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
PubChem CID698335
Molecular FormulaC11H11ClF3NO2
Molecular Weight281.66 g/mol
Exact Mass281.04
IUPAC Name2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1ccc(C(F)(F)F)cc1NC(=O)CCl
InChIInChI=1S/C11H11ClF3NO2/c1-2-18-9-4-3-7(11(13,14)15)5-8(9)16-10(17)6-12/h3-5H,2,6H2,1H3,(H,16,17)
InChIKeyJTJNUVXSBRMXJC-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 4656638
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea
CID 60586531
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
CID 1251443
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111474249
3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
CID 112765185
2-ethoxy-N-ethyl-5-(trifluoromethyl)aniline
CID 82262859
2-[[2-ethoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide
CID 49280392
N-[2-[2-ethoxy-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 47898138
3-cyclopentylsulfonyl-N-[2-ethoxy-5-(trifluoromethyl)phenyl]propanamide
CID 47728241
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47073756
2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 112765166
N-carbamoyl-2-[2-ethoxy-5-(trifluoromethyl)anilino]acetamide
CID 47077756

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide (CID 698335) is 2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide is CCOc1ccc(C(F)(F)F)cc1NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JTJNUVXSBRMXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO2/c1-2-18-9-4-3-7(11(13,14)15)5-8(9)16-10(17)6-12/h3-5H,2,6H2,1H3,(H,16,17).
What are the key properties of 2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide?
2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 281.66 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 698335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).