N-(3-chloro-4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide

C16H13ClF3NO2 — CID 100757579

IUPACN-(3-chloro-4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C16H13ClF3NO2/c1-10-5-6-12(8-14(10)17)21-15(22)9-23-13-4-2-3-11(7-13)16(18,19)20/h2-8H,9H2,1H3,(H,21,22)
InChIKeyCJLGNBMLQFJJMZ-UHFFFAOYSA-N
MW343.73 g/mol
LogP4.68
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide

N-(3-chloro-4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 100757579) has the molecular formula C16H13ClF3NO2 and a molecular weight of 343.73 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID100757579
Molecular FormulaC16H13ClF3NO2
Molecular Weight343.73 g/mol
Exact Mass343.06
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C16H13ClF3NO2/c1-10-5-6-12(8-14(10)17)21-15(22)9-23-13-4-2-3-11(7-13)16(18,19)20/h2-8H,9H2,1H3,(H,21,22)
InChIKeyCJLGNBMLQFJJMZ-UHFFFAOYSA-N
XLogP4.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.73
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757682
3-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]benzoic acid
CID 8707298
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
N-(5-acetamido-2-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 55915573
N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758389
N-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 34280640
N-(3-chloro-4-methylphenyl)-2-(3-hexoxyphenoxy)acetamide
CID 4733300
N-methyl-2-[4-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]acetamide
CID 35364913
3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 18084407
2-(3-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4733098
N-(3-prop-2-enoxyphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 95162922
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 8912726

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 100757579) is N-(3-chloro-4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide is Cc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is CJLGNBMLQFJJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO2/c1-10-5-6-12(8-14(10)17)21-15(22)9-23-13-4-2-3-11(7-13)16(18,19)20/h2-8H,9H2,1H3,(H,21,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-(3-chloro-4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 343.73 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 100757579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).