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

C12H13ClF3NO2 — CID 4656638

IUPAC2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)CCl
InChIInChI=1S/C12H13ClF3NO2/c1-2-5-19-10-4-3-8(12(14,15)16)6-9(10)17-11(18)7-13/h3-4,6H,2,5,7H2,1H3,(H,17,18)
InChIKeyNWGXJXXLBKIOOQ-UHFFFAOYSA-N
MW295.69 g/mol
LogP3.67
Rot. Bonds5

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

2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 4656638) has the molecular formula C12H13ClF3NO2 and a molecular weight of 295.69 g/mol. Its IUPAC name is 2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
PubChem CID4656638
Molecular FormulaC12H13ClF3NO2
Molecular Weight295.69 g/mol
Exact Mass295.06
IUPAC Name2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)CCl
InChIInChI=1S/C12H13ClF3NO2/c1-2-5-19-10-4-3-8(12(14,15)16)6-9(10)17-11(18)7-13/h3-4,6H,2,5,7H2,1H3,(H,17,18)
InChIKeyNWGXJXXLBKIOOQ-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 53.67
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-ethoxy-5-(trifluoromethyl)phenyl]acetamide
CID 698335
3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
CID 112765185
2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 112765166
4-amino-N-[2-propoxy-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 120558845
2-(4-methoxyphenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 8800716
2-(2-acetamidophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 7867264
3-(phenylcarbamoylamino)-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
CID 55336790
2-(2-formylphenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 7762762
4-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
CID 26175480
2-(5-acetyl-2-methoxyphenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 16557123
2-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
CID 78777880
2-(2-nitrophenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 31950827

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide (CID 4656638) is 2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide is CCCOc1ccc(C(F)(F)F)cc1NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is NWGXJXXLBKIOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3NO2/c1-2-5-19-10-4-3-8(12(14,15)16)6-9(10)17-11(18)7-13/h3-4,6H,2,5,7H2,1H3,(H,17,18).
What are the key properties of 2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 295.69 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 4656638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).