2-(2-chlorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide

C18H17ClF3NO3 — CID 43058982

IUPAC2-(2-chlorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)NCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C18H17ClF3NO3/c1-12(26-16-5-3-2-4-15(16)19)17(24)23-10-13-6-8-14(9-7-13)25-11-18(20,21)22/h2-9,12H,10-11H2,1H3,(H,23,24)
InChIKeyLUBVTPYUPZXTNR-UHFFFAOYSA-N
MW387.79 g/mol
LogP4.36
Rot. Bonds7

About 2-(2-chlorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide

2-(2-chlorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide (PubChem CID 43058982) has the molecular formula C18H17ClF3NO3 and a molecular weight of 387.79 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
PubChem CID43058982
Molecular FormulaC18H17ClF3NO3
Molecular Weight387.79 g/mol
Exact Mass387.08
IUPAC Name2-(2-chlorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)NCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C18H17ClF3NO3/c1-12(26-16-5-3-2-4-15(16)19)17(24)23-10-13-6-8-14(9-7-13)25-11-18(20,21)22/h2-9,12H,10-11H2,1H3,(H,23,24)
InChIKeyLUBVTPYUPZXTNR-UHFFFAOYSA-N
XLogP4.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.79
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-chlorophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 28635676
(2S)-2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 26529894
2-(4-fluorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 43042680
2-(2-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 53282907
2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119277641
(2S)-2-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94015153
(2R)-N-benzyl-2-(2,3-dichlorophenoxy)propanamide
CID 7542636
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 60713140
2-(2-chlorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 52988547
(2S)-N-[(4-ethoxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 94018489
2-(2-chlorophenoxy)-N-[(3-hydroxy-4-methoxyphenyl)methyl]propanamide
CID 60528119
2-(2-chlorophenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 53282971

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide (CID 43058982) is 2-(2-chlorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide is CC(Oc1ccccc1Cl)C(=O)NCc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide?
The InChIKey is LUBVTPYUPZXTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3NO3/c1-12(26-16-5-3-2-4-15(16)19)17(24)23-10-13-6-8-14(9-7-13)25-11-18(20,21)22/h2-9,12H,10-11H2,1H3,(H,23,24).
What are the key properties of 2-(2-chlorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide?
2-(2-chlorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide has a molecular weight of 387.79 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 43058982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).