N-[2-[3,5-bis(trifluoromethyl)phenoxy]ethyl]-3-methylpentanamide

C16H19F6NO2 — CID 123476859

IUPACN-[2-[3,5-bis(trifluoromethyl)phenoxy]ethyl]-3-methylpentanamide
SMILESCCC(C)CC(=O)NCCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H19F6NO2/c1-3-10(2)6-14(24)23-4-5-25-13-8-11(15(17,18)19)7-12(9-13)16(20,21)22/h7-10H,3-6H2,1-2H3,(H,23,24)
InChIKeyNPPAECUDXRYJHJ-UHFFFAOYSA-N
MW371.32 g/mol
LogP4.66
Rot. Bonds7

About N-[2-[3,5-bis(trifluoromethyl)phenoxy]ethyl]-3-methylpentanamide

N-[2-[3,5-bis(trifluoromethyl)phenoxy]ethyl]-3-methylpentanamide (PubChem CID 123476859) has the molecular formula C16H19F6NO2 and a molecular weight of 371.32 g/mol. Its IUPAC name is N-[2-[3,5-bis(trifluoromethyl)phenoxy]ethyl]-3-methylpentanamide.

Molecular Properties

Compound NameN-[2-[3,5-bis(trifluoromethyl)phenoxy]ethyl]-3-methylpentanamide
PubChem CID123476859
Molecular FormulaC16H19F6NO2
Molecular Weight371.32 g/mol
Exact Mass371.13
IUPAC NameN-[2-[3,5-bis(trifluoromethyl)phenoxy]ethyl]-3-methylpentanamide
SMILESCCC(C)CC(=O)NCCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H19F6NO2/c1-3-10(2)6-14(24)23-4-5-25-13-8-11(15(17,18)19)7-12(9-13)16(20,21)22/h7-10H,3-6H2,1-2H3,(H,23,24)
InChIKeyNPPAECUDXRYJHJ-UHFFFAOYSA-N
XLogP4.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-[2-[3-fluoro-5-(trifluoromethyl)phenoxy]ethyl]-3-methylbutanamide
CID 118661024
2-amino-3-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]pentanamide
CID 119736730
1-propoxy-3,5-bis(trifluoromethyl)benzene
CID 23395147
4-amino-3-methoxy-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide;hydrochloride
CID 120589465
(2R)-2-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 119296655
(2S)-2-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 119296638
N-[2-(2-hydroxyethoxy)ethyl]-3-methylpentanamide
CID 114875395
2-[methyl-[2-oxo-2-[2-[3-(trifluoromethyl)phenoxy]ethylamino]ethyl]amino]propanoic acid
CID 119912627
2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]butanamide
CID 85462760
(2S)-2-amino-3,3-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]butanamide
CID 119736716
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-methylpropylcarbamoyl)acetamide
CID 7796197
3-amino-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]butanamide;dihydrochloride
CID 119893789

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,5-bis(trifluoromethyl)phenoxy]ethyl]-3-methylpentanamide?
The IUPAC name of N-[2-[3,5-bis(trifluoromethyl)phenoxy]ethyl]-3-methylpentanamide (CID 123476859) is N-[2-[3,5-bis(trifluoromethyl)phenoxy]ethyl]-3-methylpentanamide.
What is the SMILES notation for N-[2-[3,5-bis(trifluoromethyl)phenoxy]ethyl]-3-methylpentanamide?
The canonical SMILES for N-[2-[3,5-bis(trifluoromethyl)phenoxy]ethyl]-3-methylpentanamide is CCC(C)CC(=O)NCCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[3,5-bis(trifluoromethyl)phenoxy]ethyl]-3-methylpentanamide?
The InChIKey is NPPAECUDXRYJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F6NO2/c1-3-10(2)6-14(24)23-4-5-25-13-8-11(15(17,18)19)7-12(9-13)16(20,21)22/h7-10H,3-6H2,1-2H3,(H,23,24).
What are the key properties of N-[2-[3,5-bis(trifluoromethyl)phenoxy]ethyl]-3-methylpentanamide?
N-[2-[3,5-bis(trifluoromethyl)phenoxy]ethyl]-3-methylpentanamide has a molecular weight of 371.32 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,5-bis(trifluoromethyl)phenoxy]ethyl]-3-methylpentanamide is sourced from PubChem (CID 123476859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).