N-[3,5-bis(trifluoromethyl)phenyl]-3-phenoxypropanamide

C17H13F6NO2 — CID 108795497

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C17H13F6NO2/c18-16(19,20)11-8-12(17(21,22)23)10-13(9-11)24-15(25)6-7-26-14-4-2-1-3-5-14/h1-5,8-10H,6-7H2,(H,24,25)
InChIKeyDVIPDFSQLBZAOO-UHFFFAOYSA-N
MW377.28 g/mol
LogP5.13
Rot. Bonds5

About N-[3,5-bis(trifluoromethyl)phenyl]-3-phenoxypropanamide

N-[3,5-bis(trifluoromethyl)phenyl]-3-phenoxypropanamide (PubChem CID 108795497) has the molecular formula C17H13F6NO2 and a molecular weight of 377.28 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-3-phenoxypropanamide
PubChem CID108795497
Molecular FormulaC17H13F6NO2
Molecular Weight377.28 g/mol
Exact Mass377.09
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C17H13F6NO2/c18-16(19,20)11-8-12(17(21,22)23)10-13(9-11)24-15(25)6-7-26-14-4-2-1-3-5-14/h1-5,8-10H,6-7H2,(H,24,25)
InChIKeyDVIPDFSQLBZAOO-UHFFFAOYSA-N
XLogP5.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.28
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-3-phenoxypropanamide
CID 112999420
N-(3,5-dichlorophenyl)-3-phenoxypropanamide
CID 26591488
N-(4-tert-butylphenyl)-3-phenoxypropanamide
CID 7658805
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride
CID 120604652
3-phenoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 19168027
3-phenoxy-N-(4-phenoxyphenyl)propanamide
CID 108795457
4-(3-anilino-3-oxopropoxy)benzoic acid
CID 43243922
phenyl N-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]carbamate
CID 66876567
2-hydroxy-4-(3-phenoxypropanoylamino)benzoic acid
CID 108806972
N-(3-formylphenyl)-3-phenoxypropanamide
CID 106912466
3-phenoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide
CID 26425338
N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 60620663

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-3-phenoxypropanamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-3-phenoxypropanamide (CID 108795497) is N-[3,5-bis(trifluoromethyl)phenyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-3-phenoxypropanamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-3-phenoxypropanamide?
The InChIKey is DVIPDFSQLBZAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F6NO2/c18-16(19,20)11-8-12(17(21,22)23)10-13(9-11)24-15(25)6-7-26-14-4-2-1-3-5-14/h1-5,8-10H,6-7H2,(H,24,25).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-3-phenoxypropanamide?
N-[3,5-bis(trifluoromethyl)phenyl]-3-phenoxypropanamide has a molecular weight of 377.28 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-3-phenoxypropanamide is sourced from PubChem (CID 108795497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).