2-chloro-N-ethyl-2-[4-(trifluoromethoxy)phenyl]acetamide

C11H11ClF3NO2 — CID 62224755

IUPAC2-chloro-N-ethyl-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCCNC(=O)C(Cl)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H11ClF3NO2/c1-2-16-10(17)9(12)7-3-5-8(6-4-7)18-11(13,14)15/h3-6,9H,2H2,1H3,(H,16,17)
InChIKeyHVQYZCFVHBWVAM-UHFFFAOYSA-N
MW281.66 g/mol
LogP3.00
Rot. Bonds4

About 2-chloro-N-ethyl-2-[4-(trifluoromethoxy)phenyl]acetamide

2-chloro-N-ethyl-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 62224755) has the molecular formula C11H11ClF3NO2 and a molecular weight of 281.66 g/mol. Its IUPAC name is 2-chloro-N-ethyl-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-2-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID62224755
Molecular FormulaC11H11ClF3NO2
Molecular Weight281.66 g/mol
Exact Mass281.04
IUPAC Name2-chloro-N-ethyl-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCCNC(=O)C(Cl)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H11ClF3NO2/c1-2-16-10(17)9(12)7-3-5-8(6-4-7)18-11(13,14)15/h3-6,9H,2H2,1H3,(H,16,17)
InChIKeyHVQYZCFVHBWVAM-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
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

N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 24697408
ethyl (2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]acetate
CID 93320084
(2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2304863
2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 95241388
3-(ethylamino)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 62838028
N-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 114980102
(2R)-2-ethoxy-2-[4-(trifluoromethoxy)phenyl]acetic acid
CID 97052403
2-chloro-2-(3-chloro-4-methylphenyl)-N-ethylacetamide
CID 106818458
methyl 2-amino-2-[4-(trifluoromethoxy)phenyl]acetate;hydrochloride
CID 68701714
2-(butan-2-ylamino)-2-[4-(trifluoromethoxy)phenyl]acetic acid
CID 61024530
ethyl 3-hydroxy-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 62393974
methyl (3R)-3-amino-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 29059481

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-2-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-chloro-N-ethyl-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 62224755) is 2-chloro-N-ethyl-2-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-ethyl-2-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-ethyl-2-[4-(trifluoromethoxy)phenyl]acetamide is CCNC(=O)C(Cl)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-chloro-N-ethyl-2-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is HVQYZCFVHBWVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO2/c1-2-16-10(17)9(12)7-3-5-8(6-4-7)18-11(13,14)15/h3-6,9H,2H2,1H3,(H,16,17).
What are the key properties of 2-chloro-N-ethyl-2-[4-(trifluoromethoxy)phenyl]acetamide?
2-chloro-N-ethyl-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 281.66 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 62224755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).