N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide

C16H13ClF3NO2 — CID 747189

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1
InChIInChI=1S/C16H13ClF3NO2/c1-10-3-2-4-12(7-10)23-9-15(22)21-14-8-11(16(18,19)20)5-6-13(14)17/h2-8H,9H2,1H3,(H,21,22)
InChIKeySPISBZXJRYZOKO-UHFFFAOYSA-N
MW343.73 g/mol
LogP4.68
Rot. Bonds4

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide (PubChem CID 747189) has the molecular formula C16H13ClF3NO2 and a molecular weight of 343.73 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide
PubChem CID747189
Molecular FormulaC16H13ClF3NO2
Molecular Weight343.73 g/mol
Exact Mass343.06
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1
InChIInChI=1S/C16H13ClF3NO2/c1-10-3-2-4-12(7-10)23-9-15(22)21-14-8-11(16(18,19)20)5-6-13(14)17/h2-8H,9H2,1H3,(H,21,22)
InChIKeySPISBZXJRYZOKO-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-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 5139046
N-(5-acetamido-2-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 55915573
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822825
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1184428
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)propanamide
CID 8012046
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propylphenoxy)acetamide
CID 19172179
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853960
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(3-methylphenyl)methyl]propanediamide
CID 108945653
4-chloro-N-(3-chlorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide
CID 3474402
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 3-methyl-2-[(3-methylbenzoyl)amino]butanoate
CID 4681208
N-(3-chloro-4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757579
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 3-phenoxypropanoate
CID 7841537

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide (CID 747189) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is SPISBZXJRYZOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO2/c1-10-3-2-4-12(7-10)23-9-15(22)21-14-8-11(16(18,19)20)5-6-13(14)17/h2-8H,9H2,1H3,(H,21,22).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)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-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 747189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).