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

C16H13ClF3NO2 — CID 108789991

IUPAC3-(4-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCOc1ccc(Cl)cc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H13ClF3NO2/c17-11-5-7-12(8-6-11)23-10-9-15(22)21-14-4-2-1-3-13(14)16(18,19)20/h1-8H,9-10H2,(H,21,22)
InChIKeyFYKCOFGPZZJFAT-UHFFFAOYSA-N
MW343.73 g/mol
LogP4.77
Rot. Bonds5

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

3-(4-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 108789991) has the molecular formula C16H13ClF3NO2 and a molecular weight of 343.73 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID108789991
Molecular FormulaC16H13ClF3NO2
Molecular Weight343.73 g/mol
Exact Mass343.06
IUPAC Name3-(4-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCOc1ccc(Cl)cc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H13ClF3NO2/c17-11-5-7-12(8-6-11)23-10-9-15(22)21-14-4-2-1-3-13(14)16(18,19)20/h1-8H,9-10H2,(H,21,22)
InChIKeyFYKCOFGPZZJFAT-UHFFFAOYSA-N
XLogP4.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.73
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 19168027
2-(4-chlorophenoxy)ethyl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9252465
3-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 19220927
(2S)-2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 26632928
3-[2-(4-methoxyphenoxy)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109031142
3-(2-methoxyphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 17034567
3-[(4-chlorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109021889
3-(4-ethoxyphenoxy)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 24983106
3-(4-fluorophenoxy)-N-(2-fluorophenyl)propanamide
CID 38765188
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(4-chlorophenoxy)propanoate
CID 3253397
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 35577296
2-(4-bromophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1068388

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(4-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide (CID 108789991) is 3-(4-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(4-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide is O=C(CCOc1ccc(Cl)cc1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 3-(4-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is FYKCOFGPZZJFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO2/c17-11-5-7-12(8-6-11)23-10-9-15(22)21-14-4-2-1-3-13(14)16(18,19)20/h1-8H,9-10H2,(H,21,22).
What are the key properties of 3-(4-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide?
3-(4-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 343.73 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 108789991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).