3-[2-(difluoromethoxy)-5-fluorophenoxy]-N-(3-ethyl-3-methylcyclobutyl)cyclobutane-1-carboxamide

C19H24F3NO3 — CID 142323295

IUPAC3-[2-(difluoromethoxy)-5-fluorophenoxy]-N-(3-ethyl-3-methylcyclobutyl)cyclobutane-1-carboxamide
SMILESCCC1(C)CC(NC(=O)C2CC(Oc3cc(F)ccc3OC(F)F)C2)C1
InChIInChI=1S/C19H24F3NO3/c1-3-19(2)9-13(10-19)23-17(24)11-6-14(7-11)25-16-8-12(20)4-5-15(16)26-18(21)22/h4-5,8,11,13-14,18H,3,6-7,9-10H2,1-2H3,(H,23,24)
InChIKeyZEBJMMURBVKIGC-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.28
Rot. Bonds7

About 3-[2-(difluoromethoxy)-5-fluorophenoxy]-N-(3-ethyl-3-methylcyclobutyl)cyclobutane-1-carboxamide

3-[2-(difluoromethoxy)-5-fluorophenoxy]-N-(3-ethyl-3-methylcyclobutyl)cyclobutane-1-carboxamide (PubChem CID 142323295) has the molecular formula C19H24F3NO3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)-5-fluorophenoxy]-N-(3-ethyl-3-methylcyclobutyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-[2-(difluoromethoxy)-5-fluorophenoxy]-N-(3-ethyl-3-methylcyclobutyl)cyclobutane-1-carboxamide
PubChem CID142323295
Molecular FormulaC19H24F3NO3
Molecular Weight371.40 g/mol
Exact Mass371.17
IUPAC Name3-[2-(difluoromethoxy)-5-fluorophenoxy]-N-(3-ethyl-3-methylcyclobutyl)cyclobutane-1-carboxamide
SMILESCCC1(C)CC(NC(=O)C2CC(Oc3cc(F)ccc3OC(F)F)C2)C1
InChIInChI=1S/C19H24F3NO3/c1-3-19(2)9-13(10-19)23-17(24)11-6-14(7-11)25-16-8-12(20)4-5-15(16)26-18(21)22/h4-5,8,11,13-14,18H,3,6-7,9-10H2,1-2H3,(H,23,24)
InChIKeyZEBJMMURBVKIGC-UHFFFAOYSA-N
XLogP4.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(difluoromethoxy)-5-fluorophenoxy]-N-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]cyclobutane-1-carboxamide
CID 134430539
3-[2-(difluoromethoxy)-5-fluorophenoxy]-N-[4-(pyrimidin-2-ylamino)cyclohexyl]cyclobutane-1-carboxamide
CID 139369105
N-(4-acetyl-1,3-thiazol-2-yl)-3-[2-(difluoromethoxy)-5-fluorophenoxy]cyclobutane-1-carboxamide
CID 139369303
3-(5-fluoro-2-methoxyphenoxy)-N-methylcyclobutane-1-carboxamide
CID 139373831
3-[2-(difluoromethoxy)phenoxy]-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]cyclobutane-1-carboxamide
CID 134430562
methyl 3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxylate
CID 139373983
N-[2-(4-cyano-2-pyridinyl)-2-azaspiro[3.3]heptan-6-yl]-3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxamide
CID 139369125
N-[3-(2-amino-5-fluorophenoxy)cyclobutyl]acetamide
CID 58421710
4-[2-(difluoromethoxy)-4-fluoroanilino]cyclohexane-1-carboxylic acid
CID 122029934
N-[1-(4-cyano-2-pyridinyl)azetidin-3-yl]-3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxamide
CID 139369067
N-(2,3-dihydroindol-1-yl)-3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxamide
CID 139369052
N-[2-(cyclohexylamino)-2-oxoethyl]-2-(difluoromethoxy)-4-fluorobenzamide
CID 71977709

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethoxy)-5-fluorophenoxy]-N-(3-ethyl-3-methylcyclobutyl)cyclobutane-1-carboxamide?
The IUPAC name of 3-[2-(difluoromethoxy)-5-fluorophenoxy]-N-(3-ethyl-3-methylcyclobutyl)cyclobutane-1-carboxamide (CID 142323295) is 3-[2-(difluoromethoxy)-5-fluorophenoxy]-N-(3-ethyl-3-methylcyclobutyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-[2-(difluoromethoxy)-5-fluorophenoxy]-N-(3-ethyl-3-methylcyclobutyl)cyclobutane-1-carboxamide?
The canonical SMILES for 3-[2-(difluoromethoxy)-5-fluorophenoxy]-N-(3-ethyl-3-methylcyclobutyl)cyclobutane-1-carboxamide is CCC1(C)CC(NC(=O)C2CC(Oc3cc(F)ccc3OC(F)F)C2)C1.
What is the InChIKey of 3-[2-(difluoromethoxy)-5-fluorophenoxy]-N-(3-ethyl-3-methylcyclobutyl)cyclobutane-1-carboxamide?
The InChIKey is ZEBJMMURBVKIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3NO3/c1-3-19(2)9-13(10-19)23-17(24)11-6-14(7-11)25-16-8-12(20)4-5-15(16)26-18(21)22/h4-5,8,11,13-14,18H,3,6-7,9-10H2,1-2H3,(H,23,24).
What are the key properties of 3-[2-(difluoromethoxy)-5-fluorophenoxy]-N-(3-ethyl-3-methylcyclobutyl)cyclobutane-1-carboxamide?
3-[2-(difluoromethoxy)-5-fluorophenoxy]-N-(3-ethyl-3-methylcyclobutyl)cyclobutane-1-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethoxy)-5-fluorophenoxy]-N-(3-ethyl-3-methylcyclobutyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 142323295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).