N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide

C19H19ClF3NO2 — CID 1185679

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1C(C)C
InChIInChI=1S/C19H19ClF3NO2/c1-11(2)15-6-5-14(8-12(15)3)26-10-18(25)24-13-4-7-17(20)16(9-13)19(21,22)23/h4-9,11H,10H2,1-3H3,(H,24,25)
InChIKeyXABUWDAQSWRHIS-UHFFFAOYSA-N
MW385.81 g/mol
LogP5.81
Rot. Bonds5

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide (PubChem CID 1185679) has the molecular formula C19H19ClF3NO2 and a molecular weight of 385.81 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
PubChem CID1185679
Molecular FormulaC19H19ClF3NO2
Molecular Weight385.81 g/mol
Exact Mass385.11
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1C(C)C
InChIInChI=1S/C19H19ClF3NO2/c1-11(2)15-6-5-14(8-12(15)3)26-10-18(25)24-13-4-7-17(20)16(9-13)19(21,22)23/h4-9,11H,10H2,1-3H3,(H,24,25)
InChIKeyXABUWDAQSWRHIS-UHFFFAOYSA-N
XLogP5.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.81
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]benzoic acid
CID 10406316
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 1188923
N-(2,5-dichlorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 7899903
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[2-(3,4-dimethylphenoxy)acetyl]-methylamino]acetamide
CID 18280045
N-(3-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 729999
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 19171329
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetamide
CID 24534208
N-(2-chloro-4-fluorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 26693197
N-cyclopropyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 78759925
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128483
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxyacetamide
CID 60638343
2-(2-bromo-4-methylphenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 2058795

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide (CID 1185679) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide is Cc1cc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1C(C)C.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The InChIKey is XABUWDAQSWRHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3NO2/c1-11(2)15-6-5-14(8-12(15)3)26-10-18(25)24-13-4-7-17(20)16(9-13)19(21,22)23/h4-9,11H,10H2,1-3H3,(H,24,25).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide has a molecular weight of 385.81 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 1185679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).