N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide

C18H17ClF3NO2 — CID 1184428

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C18H17ClF3NO2/c1-11(2)12-3-6-14(7-4-12)25-10-17(24)23-16-9-13(18(20,21)22)5-8-15(16)19/h3-9,11H,10H2,1-2H3,(H,23,24)
InChIKeyYNNDNMBBDNRTGX-UHFFFAOYSA-N
MW371.79 g/mol
LogP5.50
Rot. Bonds5

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 1184428) has the molecular formula C18H17ClF3NO2 and a molecular weight of 371.79 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID1184428
Molecular FormulaC18H17ClF3NO2
Molecular Weight371.79 g/mol
Exact Mass371.09
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C18H17ClF3NO2/c1-11(2)12-3-6-14(7-4-12)25-10-17(24)23-16-9-13(18(20,21)22)5-8-15(16)19/h3-9,11H,10H2,1-2H3,(H,23,24)
InChIKeyYNNDNMBBDNRTGX-UHFFFAOYSA-N
XLogP5.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.79
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propylphenoxy)acetamide
CID 19172179
2-(4-propan-2-ylphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 5189978
N-[[5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 126158102
N-[[5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 2941473
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 747189
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide
CID 92649043
N-(4-amino-2,5-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 50881877
N-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 26216318
[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 5073487
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 126397966
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] (2R)-2-(carbamoylamino)propanoate
CID 2367757
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(carbamoylamino)propanoate
CID 3655422

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide (CID 1184428) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is YNNDNMBBDNRTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3NO2/c1-11(2)12-3-6-14(7-4-12)25-10-17(24)23-16-9-13(18(20,21)22)5-8-15(16)19/h3-9,11H,10H2,1-2H3,(H,23,24).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 371.79 g/mol, XLogP of 5.50, 5 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-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 1184428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).