2-(3,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide

C16H12Cl2F3NO2 — CID 13052546

IUPAC2-(3,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H12Cl2F3NO2/c1-9(24-10-6-7-12(17)13(18)8-10)15(23)22-14-5-3-2-4-11(14)16(19,20)21/h2-9H,1H3,(H,22,23)
InChIKeyRXRPOXNQPIVGJJ-UHFFFAOYSA-N
MW378.18 g/mol
LogP5.42
Rot. Bonds4

About 2-(3,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide

2-(3,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 13052546) has the molecular formula C16H12Cl2F3NO2 and a molecular weight of 378.18 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID13052546
Molecular FormulaC16H12Cl2F3NO2
Molecular Weight378.18 g/mol
Exact Mass377.02
IUPAC Name2-(3,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H12Cl2F3NO2/c1-9(24-10-6-7-12(17)13(18)8-10)15(23)22-14-5-3-2-4-11(14)16(19,20)21/h2-9H,1H3,(H,22,23)
InChIKeyRXRPOXNQPIVGJJ-UHFFFAOYSA-N
XLogP5.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.18
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-propan-2-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 53266331
(2S)-2-(2,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 7720105
2-(2,3-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46633814
2-methoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113225450
N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)propanamide
CID 42904434
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide
CID 3259116
(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 2202420
2-(3,4-dichlorophenoxy)-N-propan-2-ylpropanamide
CID 47109802
5-chloro-2-[(2S)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]oxybenzamide
CID 38262201
[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 46621713
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 1019991
2-(2,4-dibromophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55418069

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide (CID 13052546) is 2-(3,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide is CC(Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is RXRPOXNQPIVGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2F3NO2/c1-9(24-10-6-7-12(17)13(18)8-10)15(23)22-14-5-3-2-4-11(14)16(19,20)21/h2-9H,1H3,(H,22,23).
What are the key properties of 2-(3,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide?
2-(3,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 378.18 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 13052546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).