N-(2-chloro-5-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide

C11H11ClF3NO3 — CID 86847323

IUPACN-(2-chloro-5-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCOc1ccc(Cl)c(NC(=O)COCC(F)(F)F)c1
InChIInChI=1S/C11H11ClF3NO3/c1-18-7-2-3-8(12)9(4-7)16-10(17)5-19-6-11(13,14)15/h2-4H,5-6H2,1H3,(H,16,17)
InChIKeyJIFBWAPACHMMDJ-UHFFFAOYSA-N
MW297.66 g/mol
LogP2.87
Rot. Bonds5

About N-(2-chloro-5-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(2-chloro-5-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 86847323) has the molecular formula C11H11ClF3NO3 and a molecular weight of 297.66 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID86847323
Molecular FormulaC11H11ClF3NO3
Molecular Weight297.66 g/mol
Exact Mass297.04
IUPAC NameN-(2-chloro-5-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCOc1ccc(Cl)c(NC(=O)COCC(F)(F)F)c1
InChIInChI=1S/C11H11ClF3NO3/c1-18-7-2-3-8(12)9(4-7)16-10(17)5-19-6-11(13,14)15/h2-4H,5-6H2,1H3,(H,16,17)
InChIKeyJIFBWAPACHMMDJ-UHFFFAOYSA-N
XLogP2.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.66
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-5-methoxyphenyl)-2-propan-2-yloxyacetamide
CID 47423695
N-(3-chloro-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86915349
2-[2-(2-chloro-5-methoxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569778
N-(2-chloro-5-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103733277
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethoxyanilino)acetamide
CID 109009526
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 55763297
N-(2-chloro-5-methoxyphenyl)-2-(2-hydroxyphenyl)acetamide
CID 80741109
N-(2-chloro-4-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103799782
2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetate
CID 7407565
N-(5-amino-2-chlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 43376874
4-amino-N-(2-chloro-5-methoxyphenyl)-2,2-dimethylbutanamide
CID 114285613
N-(4-butoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 87043030

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 86847323) is N-(2-chloro-5-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide is COc1ccc(Cl)c(NC(=O)COCC(F)(F)F)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is JIFBWAPACHMMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO3/c1-18-7-2-3-8(12)9(4-7)16-10(17)5-19-6-11(13,14)15/h2-4H,5-6H2,1H3,(H,16,17).
What are the key properties of N-(2-chloro-5-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(2-chloro-5-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 297.66 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 86847323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).