N-[2-[2-(5-fluoro-2-prop-1-en-2-ylphenoxy)ethoxy]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

C18H21F4NO3 — CID 176700728

IUPACN-[2-[2-(5-fluoro-2-prop-1-en-2-ylphenoxy)ethoxy]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESC=C(C)c1ccc(F)cc1OCCOCCNC(=O)C1(C(F)(F)F)CC1
InChIInChI=1S/C18H21F4NO3/c1-12(2)14-4-3-13(19)11-15(14)26-10-9-25-8-7-23-16(24)17(5-6-17)18(20,21)22/h3-4,11H,1,5-10H2,2H3,(H,23,24)
InChIKeyHLCNDPSBDHUAKM-UHFFFAOYSA-N
MW375.36 g/mol
LogP3.71
Rot. Bonds9

About N-[2-[2-(5-fluoro-2-prop-1-en-2-ylphenoxy)ethoxy]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

N-[2-[2-(5-fluoro-2-prop-1-en-2-ylphenoxy)ethoxy]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 176700728) has the molecular formula C18H21F4NO3 and a molecular weight of 375.36 g/mol. Its IUPAC name is N-[2-[2-(5-fluoro-2-prop-1-en-2-ylphenoxy)ethoxy]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(5-fluoro-2-prop-1-en-2-ylphenoxy)ethoxy]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID176700728
Molecular FormulaC18H21F4NO3
Molecular Weight375.36 g/mol
Exact Mass375.15
IUPAC NameN-[2-[2-(5-fluoro-2-prop-1-en-2-ylphenoxy)ethoxy]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESC=C(C)c1ccc(F)cc1OCCOCCNC(=O)C1(C(F)(F)F)CC1
InChIInChI=1S/C18H21F4NO3/c1-12(2)14-4-3-13(19)11-15(14)26-10-9-25-8-7-23-16(24)17(5-6-17)18(20,21)22/h3-4,11H,1,5-10H2,2H3,(H,23,24)
InChIKeyHLCNDPSBDHUAKM-UHFFFAOYSA-N
XLogP3.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[2-[5-fluoro-2-[(Z)-N-(methylideneamino)-C-(2-methyl-1-sulfanylprop-1-enyl)carbonimidoyl]phenoxy]ethoxy]ethyl]carbamate
CID 176700405
N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-3,3-dimethylcyclobutane-1-carboxamide
CID 176701362
5-fluoro-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]benzoic acid
CID 166174887
3,3-difluoro-N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]cyclobutane-1-carboxamide
CID 176700307
3,3-difluoro-N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]cyclobutane-1-carboxamide;ethane
CID 176701242
tert-butyl N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]carbamate;ethane
CID 176700845
2-(prop-2-enoylamino)ethyl N-[2-[2-(2-ethyl-5-fluorophenoxy)ethoxy]ethyl]carbamate
CID 176700578
1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanone
CID 29003149
tert-butyl N-[2-[2-(4-amino-2-fluorophenoxy)ethoxy]ethyl]carbamate
CID 59174464
1-[2-(2-bromoethoxy)-4-fluorophenyl]ethanone
CID 63069077
ethane;1-(prop-2-enoylamino)propan-2-yl N-[2-[2-(5-fluoro-2-methylphenoxy)ethoxy]ethyl]carbamate
CID 176700697
4-fluoro-N-methyl-2-propoxybenzamide
CID 176894909

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(5-fluoro-2-prop-1-en-2-ylphenoxy)ethoxy]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-[2-(5-fluoro-2-prop-1-en-2-ylphenoxy)ethoxy]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (CID 176700728) is N-[2-[2-(5-fluoro-2-prop-1-en-2-ylphenoxy)ethoxy]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-[2-(5-fluoro-2-prop-1-en-2-ylphenoxy)ethoxy]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-[2-(5-fluoro-2-prop-1-en-2-ylphenoxy)ethoxy]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is C=C(C)c1ccc(F)cc1OCCOCCNC(=O)C1(C(F)(F)F)CC1.
What is the InChIKey of N-[2-[2-(5-fluoro-2-prop-1-en-2-ylphenoxy)ethoxy]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is HLCNDPSBDHUAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F4NO3/c1-12(2)14-4-3-13(19)11-15(14)26-10-9-25-8-7-23-16(24)17(5-6-17)18(20,21)22/h3-4,11H,1,5-10H2,2H3,(H,23,24).
What are the key properties of N-[2-[2-(5-fluoro-2-prop-1-en-2-ylphenoxy)ethoxy]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
N-[2-[2-(5-fluoro-2-prop-1-en-2-ylphenoxy)ethoxy]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 375.36 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(5-fluoro-2-prop-1-en-2-ylphenoxy)ethoxy]ethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 176700728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).